Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
CA | | CALCIUM(2+) | 4fu4 | A | A385 | CA | | CALCIUM(2+) | 4fu4 | B | A385 | CA | | CALCIUM(2+) | 4fvl | A | A385 | CA | | CALCIUM(2+) | 4fvl | B | A385 | CA | | CALCIUM(2+) | 4g0d | A | A385 | CA | | CALCIUM(2+) | 4g0d | B | A385 | CA | | CALCIUM(2+) | 4g0d | C | A385 | CA | | CALCIUM(2+) | 4g0d | D | A385 | CA | | CALCIUM(2+) | 2d1n | A | D128 | CA | | CALCIUM(2+) | 2d1n | B | D128 | CA | | CALCIUM(2+) | 3elm | A | D128 | CA | | CALCIUM(2+) | 3elm | B | D128 | CA | | CALCIUM(2+) | 3i7g | A | D128 | CA | | CALCIUM(2+) | 3i7i | B | D128 | CA | | CALCIUM(2+) | 3kec | A | D128 | CA | | CALCIUM(2+) | 3kec | B | D128 | CA | | CALCIUM(2+) | 3kej | B | D128 | CA | | CALCIUM(2+) | 3kek | A | D128 | CA | | CALCIUM(2+) | 3kek | B | D128 | CA | | CALCIUM(2+) | 3tvc | A | D128 | CA | | CALCIUM(2+) | 3zxh | A | D128 | CA | | CALCIUM(2+) | 3zxh | B | D128 | CA | | CALCIUM(2+) | 4fvl | B | D128 | CA | | CALCIUM(2+) | 4g0d | A | D128 | CA | | CALCIUM(2+) | 4g0d | B | D128 | CA | | CALCIUM(2+) | 4g0d | C | D128 | CA | | CALCIUM(2+) | 4g0d | D | D128 | NA | | SODIUM(1+) | 3wv1 | A | D128 | CA | | CALCIUM(2+) | 5bot | A | D128 | CA | | CALCIUM(2+) | 5bot | B | D128 | CA | | CALCIUM(2+) | 5bpa | B | D128 | CA | | CALCIUM(2+) | 4fvl | A | D128 D204 | NA | | SODIUM(1+) | 3wv1 | B | D128 D204 | CA | | CALCIUM(2+) | 4fu4 | A | D432 | CA | | CALCIUM(2+) | 4fu4 | B | D432 | CA | | CALCIUM(2+) | 4fvl | A | D432 | CA | | CALCIUM(2+) | 4fvl | B | D432 | CA | | CALCIUM(2+) | 4g0d | A | D432 | CA | | CALCIUM(2+) | 4g0d | B | D432 | CA | | CALCIUM(2+) | 4g0d | C | D432 | CA | | CALCIUM(2+) | 4g0d | D | D432 | ZN | | ZINC(2+) | 1eub | A | H172 | ZN | | ZINC(2+) | 1xuc | A | H172 | ZN | | ZINC(2+) | 1xuc | B | H172 | ZN | | ZINC(2+) | 1xud | A | H172 | ZN | | ZINC(2+) | 1xud | B | H172 | ZN | | ZINC(2+) | 1xur | A | H172 | ZN | | ZINC(2+) | 1xur | B | H172 | ZN | | ZINC(2+) | 1you | A | H172 | ZN | | ZINC(2+) | 1you | B | H172 | ZN | | ZINC(2+) | 2d1n | A | H172 | ZN | | ZINC(2+) | 2d1n | B | H172 | ZN | | ZINC(2+) | 2e2d | A | H172 | ZN | | ZINC(2+) | 2yig | A | H172 | ZN | | ZINC(2+) | 2yig | B | H172 | ZN | | ZINC(2+) | 3elm | A | H172 | ZN | | ZINC(2+) | 3elm | B | H172 | ZN | | ZINC(2+) | 3i7g | A | H172 | ZN | | ZINC(2+) | 3i7g | B | H172 | ZN | | ZINC(2+) | 3i7i | A | H172 | ZN | | ZINC(2+) | 3i7i | B | H172 | ZN | | ZINC(2+) | 3kec | A | H172 | ZN | | ZINC(2+) | 3kec | B | H172 | ZN | | ZINC(2+) | 3kej | A | H172 | ZN | | ZINC(2+) | 3kej | B | H172 | ZN | | ZINC(2+) | 3kek | A | H172 | ZN | | ZINC(2+) | 3kek | B | H172 | ZN | | ZINC(2+) | 3kry | A | H172 | ZN | | ZINC(2+) | 3kry | B | H172 | ZN | | ZINC(2+) | 3kry | C | H172 | ZN | | ZINC(2+) | 3kry | D | H172 | ZN | | ZINC(2+) | 3ljz | A | H172 | ZN | | ZINC(2+) | 3ljz | B | H172 | ZN | | ZINC(2+) | 3ljz | C | H172 | ZN | | ZINC(2+) | 3ljz | D | H172 | ZN | | ZINC(2+) | 3tvc | A | H172 | ZN | | ZINC(2+) | 3zxh | A | H172 | ZN | | ZINC(2+) | 3zxh | B | H172 | ZN | | ZINC(2+) | 456c | A | H172 | ZN | | ZINC(2+) | 456c | B | H172 | ZN | | ZINC(2+) | 4a7b | A | H172 | ZN | | ZINC(2+) | 4a7b | B | H172 | ZN | | ZINC(2+) | 830c | A | H172 | ZN | | ZINC(2+) | 830c | B | H172 | ZN | | ZINC(2+) | 4fu4 | A | H172 | ZN | | ZINC(2+) | 4fu4 | B | H172 | ZN | | ZINC(2+) | 4fvl | A | H172 | ZN | | ZINC(2+) | 4fvl | B | H172 | ZN | | ZINC(2+) | 4g0d | A | H172 | ZN | | ZINC(2+) | 4g0d | B | H172 | ZN | | ZINC(2+) | 4g0d | C | H172 | ZN | | ZINC(2+) | 4g0d | D | H172 | ZN | | ZINC(2+) | 4jp4 | A | H172 | ZN | | ZINC(2+) | 4jp4 | B | H172 | ZN | | ZINC(2+) | 4jpa | A | H172 | ZN | | ZINC(2+) | 4jpa | B | H172 | ZN | | ZINC(2+) | 3wv2 | A | H172 | ZN | | ZINC(2+) | 3wv2 | B | H172 | ZN | | ZINC(2+) | 3wv3 | A | H172 | ZN | | ZINC(2+) | 3wv3 | B | H172 | ZN | | ZINC(2+) | 4l19 | A | H172 | ZN | | ZINC(2+) | 4l19 | B | H172 | ZN | | ZINC(2+) | 3wv1 | A | H172 | ZN | | ZINC(2+) | 3wv1 | B | H172 | ZN | | ZINC(2+) | 5bot | A | H172 | ZN | | ZINC(2+) | 5bot | B | H172 | ZN | | ZINC(2+) | 5boy | A | H172 | ZN | | ZINC(2+) | 5boy | B | H172 | ZN | | ZINC(2+) | 5bpa | A | H172 | ZN | | ZINC(2+) | 5bpa | B | H172 | PB5 | | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE | 1xur | A | H222 | PB5 | | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE | 1xur | B | H222 | WGG | | N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-2- CARBOXAMIDE | 3wv2 | A | H222 | WLL | | N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3- D]PYRIMIDINE-2-CARBOXAMIDE | 3wv3 | A | H222 | WLL | | N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3- D]PYRIMIDINE-2-CARBOXAMIDE | 3wv3 | B | H222 | WHH | | 4-[2-({6-FLUORO-2-[(3-METHOXYBENZYL)CARBAMOYL]-4-OXO-3, 4-DIHYDROQUINAZOLIN-5-YL}OXY)ETHYL]BENZOIC ACID | 3wv1 | A | H222 | FMT | | FORMIC ACID | 3wv1 | B | H222 | WHH | | 4-[2-({6-FLUORO-2-[(3-METHOXYBENZYL)CARBAMOYL]-4-OXO-3, 4-DIHYDROQUINAZOLIN-5-YL}OXY)ETHYL]BENZOIC ACID | 3wv1 | B | H222 | 4UF | | 4-{[({5-[2-(ETHOXYCARBONYL)-1H-INDOL-5-YL]-1-METHYL-1H- PYRAZOL-3-YL}CARBONYL)AMINO]METHYL}BENZOIC ACID | 5bpa | B | H222 | WGG | | N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-2- CARBOXAMIDE | 3wv2 | B | H222 G237 | 5EL | | 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE | 2yig | A | H222 G237 P242 | 5EL | | 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE | 2yig | B | H222 G237 P242 | 518 | | N-[4-(5-{[(1S)-1-CYCLOHEXYL-2-(METHYLAMINO)-2-OXOETHYL]CARBAMOYL}FURAN-2-YL)PHENYL]-1-BENZOFURAN-2-CARBOXAMIDE | 3i7i | A | H222 G237 P242 | 3W5 | | N-[(3S)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-3-YL]-4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)BENZAMIDE | 4a7b | A | H222 G237 P242 | 3W4 | | N-[(3R)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-3-YL]-4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)BENZAMIDE | 4a7b | B | H222 G237 P242 | 1UA | | 2-[(4-METHYLBENZYL)SULFANYL]-3,5,6,7-TETRAHYDRO-4H- CYCLOPENTA[D]PYRIMIDIN-4-ONE | 4l19 | B | H222 G237 P242 | ZN | | ZINC(2+) | 1eub | A | H222 H226 | HAV | | HYDROXYAMINOVALINE | 1eub | A | H222 H226 | ZN | | ZINC(2+) | 1xuc | A | H222 H226 | ZN | | ZINC(2+) | 1xuc | B | H222 H226 | ZN | | ZINC(2+) | 1xud | A | H222 H226 | ZN | | ZINC(2+) | 1xud | B | H222 H226 | ZN | | ZINC(2+) | 1xur | A | H222 H226 | ZN | | ZINC(2+) | 1xur | B | H222 H226 | ZN | | ZINC(2+) | 1you | A | H222 H226 | ZN | | ZINC(2+) | 1you | B | H222 H226 | ZN | | ZINC(2+) | 2d1n | A | H222 H226 | ZN | | ZINC(2+) | 2d1n | B | H222 H226 | ZN | | ZINC(2+) | 2e2d | A | H222 H226 | ZN | | ZINC(2+) | 2yig | A | H222 H226 | ZN | | ZINC(2+) | 2yig | B | H222 H226 | ZN | | ZINC(2+) | 3elm | A | H222 H226 | ZN | | ZINC(2+) | 3elm | B | H222 H226 | ZN | | ZINC(2+) | 3i7g | A | H222 H226 | ZN | | ZINC(2+) | 3i7g | B | H222 H226 | ZN | | ZINC(2+) | 3i7i | A | H222 H226 | ZN | | ZINC(2+) | 3i7i | B | H222 H226 | ZN | | ZINC(2+) | 3kec | A | H222 H226 | ZN | | ZINC(2+) | 3kec | B | H222 H226 | ZN | | ZINC(2+) | 3kej | A | H222 H226 | ZN | | ZINC(2+) | 3kej | B | H222 H226 | ZN | | ZINC(2+) | 3kek | A | H222 H226 | ZN | | ZINC(2+) | 3kek | B | H222 H226 | ZN | | ZINC(2+) | 3kry | A | H222 H226 | ZN | | ZINC(2+) | 3kry | B | H222 H226 | ZN | | ZINC(2+) | 3kry | C | H222 H226 | ZN | | ZINC(2+) | 3kry | D | H222 H226 | ZN | | ZINC(2+) | 3ljz | A | H222 H226 | ZN | | ZINC(2+) | 3ljz | B | H222 H226 | ZN | | ZINC(2+) | 3ljz | C | H222 H226 | ZN | | ZINC(2+) | 3ljz | D | H222 H226 | ZN | | ZINC(2+) | 3tvc | A | H222 H226 | ZN | | ZINC(2+) | 3zxh | A | H222 H226 | ZN | | ZINC(2+) | 3zxh | B | H222 H226 | ZN | | ZINC(2+) | 456c | A | H222 H226 | ZN | | ZINC(2+) | 456c | B | H222 H226 | ZN | | ZINC(2+) | 4a7b | A | H222 H226 | ZN | | ZINC(2+) | 4a7b | B | H222 H226 | ZN | | ZINC(2+) | 830c | A | H222 H226 | ZN | | ZINC(2+) | 830c | B | H222 H226 | ZN | | ZINC(2+) | 4fu4 | A | H222 H226 | ZN | | ZINC(2+) | 4fu4 | B | H222 H226 | ZN | | ZINC(2+) | 4fvl | A | H222 H226 | ZN | | ZINC(2+) | 4fvl | B | H222 H226 | ZN | | ZINC(2+) | 4g0d | A | H222 H226 | ZN | | ZINC(2+) | 4g0d | B | H222 H226 | ZN | | ZINC(2+) | 4g0d | C | H222 H226 | ZN | | ZINC(2+) | 4g0d | D | H222 H226 | ZN | | ZINC(2+) | 4jp4 | A | H222 H226 | ZN | | ZINC(2+) | 4jp4 | B | H222 H226 | ZN | | ZINC(2+) | 4jpa | A | H222 H226 | ZN | | ZINC(2+) | 4jpa | B | H222 H226 | ZN | | ZINC(2+) | 3wv2 | A | H222 H226 | ZN | | ZINC(2+) | 3wv2 | B | H222 H226 | ZN | | ZINC(2+) | 3wv3 | A | H222 H226 | ZN | | ZINC(2+) | 3wv3 | B | H222 H226 | ZN | | ZINC(2+) | 4l19 | A | H222 H226 | ZN | | ZINC(2+) | 4l19 | B | H222 H226 | ZN | | ZINC(2+) | 3wv1 | A | H222 H226 | FMT | | FORMIC ACID | 3wv1 | A | H222 H226 | ZN | | ZINC(2+) | 3wv1 | B | H222 H226 | ZN | | ZINC(2+) | 5bot | A | H222 H226 | ZN | | ZINC(2+) | 5bot | B | H222 H226 | ZN | | ZINC(2+) | 5boy | A | H222 H226 | ZN | | ZINC(2+) | 5boy | B | H222 H226 | ZN | | ZINC(2+) | 5bpa | A | H222 H226 | ZN | | ZINC(2+) | 5bpa | B | H222 H226 | AZ6 | | 3-[({2-[4-({[(4S)-4-METHYL-2,5-DIOXOIMIDAZOLIDIN-4- YL]METHYL}SULFONYL)PIPERAZIN-1-YL]PYRIMIDIN-5-YL}OXY) METHYL]BENZONITRILE | 4jpa | A | H222 H226 G237 P242 | PFD | | 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]BARBITURIC ACID | 1you | A | H222 H226 P242 | PFD | | 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]BARBITURIC ACID | 1you | B | H222 H226 P242 | FA4 | | SM-25453 | 2d1n | A | H222 H226 P242 | FA4 | | SM-25453 | 2d1n | B | H222 H226 P242 | 24F | | (2R)-({[5-(4-ETHOXYPHENYL)THIOPHEN-2-YL]SULFONYL}AMINO){1-[(1-METHYLETHOXY)CARBONYL]PIPERIDIN-4-YL}ETHANOIC ACID | 3elm | A | H222 H226 P242 | 24F | | (2R)-({[5-(4-ETHOXYPHENYL)THIOPHEN-2-YL]SULFONYL}AMINO){1-[(1-METHYLETHOXY)CARBONYL]PIPERIDIN-4-YL}ETHANOIC ACID | 3elm | B | H222 H226 P242 | 3KR | | 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE | 3kry | A | H222 H226 P242 | 3KR | | 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE | 3kry | B | H222 H226 P242 | 3KR | | 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE | 3kry | C | H222 H226 P242 | 3KR | | 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE | 3kry | D | H222 H226 P242 | LA3 | | (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE | 3ljz | A | H222 H226 P242 | LA3 | | (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE | 3ljz | B | H222 H226 P242 | LA3 | | (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE | 3ljz | C | H222 H226 P242 | LA3 | | (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE | 3ljz | D | H222 H226 P242 | E3P | | N~2~-[3-(1,1':4',1''-TERPHENYL-4-YL)PROPANOYL]-L-ALPHA- GLUTAMINE | 3tvc | A | H222 H226 P242 | E41 | | N-HYDROXY-N^2^-(3-METHYLBUTYL)-N^2^-(NAPHTHALEN-2-YLSULFONYL)-D-VALINAMIDE | 3zxh | A | H222 H226 P242 | E41 | | N-HYDROXY-N^2^-(3-METHYLBUTYL)-N^2^-(NAPHTHALEN-2-YLSULFONYL)-D-VALINAMIDE | 3zxh | B | H222 H226 P242 | CBP | | 2-[4-[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLOXAN-4-YL]-N-HYDROXYACETAMIDE | 456c | A | H222 H226 P242 | CBP | | 2-[4-[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLOXAN-4-YL]-N-HYDROXYACETAMIDE | 456c | B | H222 H226 P242 | RS1 | | 4-[[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLMETHYL]-N-HYDROXYOXANE-4-CARBOXAMIDE | 830c | A | H222 H226 P242 | RS1 | | 4-[[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLMETHYL]-N-HYDROXYOXANE-4-CARBOXAMIDE | 830c | B | H222 H226 P242 | III | | Peptide ligand (GLY,GLY,ASP,GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4fu4 | A | H222 H226 P242 | III | | Peptide ligand (GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4fvl | A | H222 H226 P242 | AZ4 | | N-[(2S)-4-(5-FLUOROPYRIMIDIN-2-YL)-1-({4-[5-(2,2,2- TRIFLUOROETHOXY)PYRIMIDIN-2-YL]PIPERAZIN-1- YL}SULFONYL)BUTAN-2-YL]-N-HYDROXYFORMAMIDE | 4jp4 | A | H222 H226 P242 | AZ4 | | N-[(2S)-4-(5-FLUOROPYRIMIDIN-2-YL)-1-({4-[5-(2,2,2- TRIFLUOROETHOXY)PYRIMIDIN-2-YL]PIPERAZIN-1- YL}SULFONYL)BUTAN-2-YL]-N-HYDROXYFORMAMIDE | 4jp4 | B | H222 H226 P242 | AZ6 | | 3-[({2-[4-({[(4S)-4-METHYL-2,5-DIOXOIMIDAZOLIDIN-4- YL]METHYL}SULFONYL)PIPERAZIN-1-YL]PYRIMIDIN-5-YL}OXY) METHYL]BENZONITRILE | 4jpa | B | H222 H226 P242 | MSB | | 4-METHOXYBENZENESULFINATE | 1eub | A | H222 P242 | PB3 | | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE | 1xuc | A | H222 P242 | PB3 | | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE | 1xuc | B | H222 P242 | PB4 | | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE | 1xud | A | H222 P242 | PB4 | | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE | 1xud | B | H222 P242 | 732 | | 5-(4-CHLOROPHENYL)-N-[(1S)-1-CYCLOHEXYL-2-(METHYLAMINO)-2-OXOETHYL]FURAN-2-CARBOXAMIDE | 3i7g | A | H222 P242 | 3KE | | 4-((3-(2-(4-METHOXYBENZYL)-2H-TETRAZOL-5-YL)BENZAMIDO)METHYL)BENZOIC ACID | 3kec | A | H222 P242 | 3KE | | 4-((3-(2-(4-METHOXYBENZYL)-2H-TETRAZOL-5-YL)BENZAMIDO)METHYL)BENZOIC ACID | 3kec | B | H222 P242 | 3EJ | | 4-[(5-{2-[(3-FLUOROBENZYL)CARBAMOYL]PYRIDIN-4-YL}-2H-TETRAZOL-2-YL)METHYL]BENZOIC ACID | 3kej | B | H222 P242 | 3EK | | (1R,4R)-4-((3-(2((4-FLUOROBENZYL)CARBAMOYL)-6-METHYLPYRIDIN-4-YL)-1H-1,2,4-TRIAZOL-1-YL)METHYL]CYCLOHEXANECARBOXYLIC ACID | 3kek | A | H222 P242 | 3EK | | (1R,4R)-4-((3-(2((4-FLUOROBENZYL)CARBAMOYL)-6-METHYLPYRIDIN-4-YL)-1H-1,2,4-TRIAZOL-1-YL)METHYL]CYCLOHEXANECARBOXYLIC ACID | 3kek | B | H222 P242 | 1UA | | 2-[(4-METHYLBENZYL)SULFANYL]-3,5,6,7-TETRAHYDRO-4H- CYCLOPENTA[D]PYRIMIDIN-4-ONE | 4l19 | A | H222 P242 | 4UM | | ETHYL 5-CARBAMOYL-1H-INDOLE-2-CARBOXYLATE | 5bot | A | H222 P242 | 4UM | | ETHYL 5-CARBAMOYL-1H-INDOLE-2-CARBOXYLATE | 5bot | B | H222 P242 | 4UE | | ETHYL 5-(1-METHYL-1H-IMIDAZOL-5-YL)-1H-INDOLE-2- CARBOXYLATE | 5boy | A | H222 P242 | 4UE | | ETHYL 5-(1-METHYL-1H-IMIDAZOL-5-YL)-1H-INDOLE-2- CARBOXYLATE | 5boy | B | H222 P242 | 4UF | | 4-{[({5-[2-(ETHOXYCARBONYL)-1H-INDOL-5-YL]-1-METHYL-1H- PYRAZOL-3-YL}CARBONYL)AMINO]METHYL}BENZOIC ACID | 5bpa | A | H222 P242 | 3EJ | | 4-[(5-{2-[(3-FLUOROBENZYL)CARBAMOYL]PYRIDIN-4-YL}-2H-TETRAZOL-2-YL)METHYL]BENZOIC ACID | 3kej | A | H222 P242 G248 | 1UA | | 2-[(4-METHYLBENZYL)SULFANYL]-3,5,6,7-TETRAHYDRO-4H- CYCLOPENTA[D]PYRIMIDIN-4-ONE | 4l19 | A | H226 | III | | Peptide ligand (GLY,GLY,ASP,GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4fu4 | B | L111 H172 G196 H222 H226 P242 | III | | Peptide ligand (LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4fvl | B | L111 H222 H226 P242 | III | | Peptide ligand (SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4g0d | A | L111 H222 H226 P242 | III | | Peptide ligand (GLY,GLY,ASP,GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4g0d | B | L111 H222 H226 P242 | III | | Peptide ligand (GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4g0d | C | L111 H222 H226 P242 | III | | Peptide ligand (GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) | 4g0d | D | L111 H222 H226 P242 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | A | N194 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | B | N194 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | C | N194 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | D | N194 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | E | N194 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | F | N194 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | G | N194 | GG1 | | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 2ozr | H | N194 | CA | | CALCIUM(2+) | 1eub | A | N194 G196 D198 | CA | | CALCIUM(2+) | 1xuc | A | N194 G196 D198 | CA | | CALCIUM(2+) | 1xuc | B | N194 G196 D198 | CA | | CALCIUM(2+) | 1xud | A | N194 G196 D198 | CA | | CALCIUM(2+) | 1xud | B | N194 G196 D198 | CA | | CALCIUM(2+) | 1xur | A | N194 G196 D198 | CA | | CALCIUM(2+) | 1xur | B | N194 G196 D198 | CA | | CALCIUM(2+) | 2d1n | A | N194 G196 D198 | CA | | CALCIUM(2+) | 2d1n | B | N194 G196 D198 | CA | | CALCIUM(2+) | 2e2d | A | N194 G196 D198 | CA | | CALCIUM(2+) | 2yig | A | N194 G196 D198 | CA | | CALCIUM(2+) | 2yig | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3elm | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3elm | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3i7g | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3i7g | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3i7i | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3i7i | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3kec | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3kec | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3kej | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3kej | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3kek | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3kek | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3kry | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3kry | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3kry | C | N194 G196 D198 | CA | | CALCIUM(2+) | 3kry | D | N194 G196 D198 | CA | | CALCIUM(2+) | 3ljz | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3ljz | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3ljz | C | N194 G196 D198 | CA | | CALCIUM(2+) | 3ljz | D | N194 G196 D198 | CA | | CALCIUM(2+) | 3tvc | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3zxh | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3zxh | B | N194 G196 D198 | CA | | CALCIUM(2+) | 4a7b | A | N194 G196 D198 | CA | | CALCIUM(2+) | 4a7b | B | N194 G196 D198 | CA | | CALCIUM(2+) | 4fu4 | A | N194 G196 D198 | CA | | CALCIUM(2+) | 4fu4 | B | N194 G196 D198 | CA | | CALCIUM(2+) | 4fvl | A | N194 G196 D198 | CA | | CALCIUM(2+) | 4fvl | B | N194 G196 D198 | CA | | CALCIUM(2+) | 4g0d | A | N194 G196 D198 | CA | | CALCIUM(2+) | 4g0d | B | N194 G196 D198 | CA | | CALCIUM(2+) | 4g0d | C | N194 G196 D198 | CA | | CALCIUM(2+) | 4g0d | D | N194 G196 D198 | CA | | CALCIUM(2+) | 4jp4 | A | N194 G196 D198 | CA | | CALCIUM(2+) | 4jp4 | B | N194 G196 D198 | CA | | CALCIUM(2+) | 4jpa | A | N194 G196 D198 | CA | | CALCIUM(2+) | 4jpa | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3wv2 | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3wv2 | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3wv3 | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3wv3 | B | N194 G196 D198 | CA | | CALCIUM(2+) | 4l19 | A | N194 G196 D198 | CA | | CALCIUM(2+) | 4l19 | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3wv1 | A | N194 G196 D198 | CA | | CALCIUM(2+) | 3wv1 | B | N194 G196 D198 | CA | | CALCIUM(2+) | 5bot | A | N194 G196 D198 | CA | | CALCIUM(2+) | 5bot | B | N194 G196 D198 | CA | | CALCIUM(2+) | 5boy | A | N194 G196 D198 | CA | | CALCIUM(2+) | 5boy | B | N194 G196 D198 | CA | | CALCIUM(2+) | 5bpa | A | N194 G196 D198 | CA | | CALCIUM(2+) | 5bpa | B | N194 G196 D198 | CA | | CALCIUM(2+) | 3i7g | B | P127 D128 | CA | | CALCIUM(2+) | 3i7i | A | P127 D128 | CA | | CALCIUM(2+) | 3kej | A | P127 D128 | CA | | CALCIUM(2+) | 5boy | A | P127 D128 | CA | | CALCIUM(2+) | 5boy | B | P127 D128 | CA | | CALCIUM(2+) | 5bpa | A | P127 D128 | 3MP | | 3-METHYLPYRIDINE | 1eub | A | P242 | CA | | CALCIUM(2+) | 3elm | A | T149 | CA | | CALCIUM(2+) | 3zxh | A | T149 | CA | | CALCIUM(2+) | 4g0d | B | T149 | CA | | CALCIUM(2+) | 4g0d | C | T149 |
LBS | AA sequence | # species | Species |
A161 | LHDGIADIMIS | 1 | Homo sapiens | A161 | IYDGTADIMIS | 1 | Mus musculus | A161 | IHNGTADIMIS | 1 | Bos taurus | A186 | PSGLLAHAFPP | 3 | Homo sapiens, Mus musculus, Bos taurus | A188 | GLLAHAFPPGP | 3 | Homo sapiens, Mus musculus, Bos taurus | A238 | SKDPGALMFPI | 3 | Homo sapiens, Mus musculus, Bos taurus | A336 | PNRIDAAYEHP | 2 | Homo sapiens, Bos taurus | A336 | PNHVDAAYEHP | 1 | Mus musculus | A337 | NRIDAAYEHPS | 2 | Homo sapiens, Bos taurus | A337 | NHVDAAYEHPS | 1 | Mus musculus | A384 | VKKISAAVHFE | 1 | Homo sapiens | A384 | VKRLSAAVHFE | 1 | Mus musculus | A384 | VKKISAALHFE | 1 | Bos taurus | A385 | KKISAAVHFED | 1 | Homo sapiens | A385 | KRLSAAVHFEN | 1 | Mus musculus | A385 | KKISAALHFED | 1 | Bos taurus | D128 | VNYTPDMTHSE | 1 | Homo sapiens | D128 | VNYTPDMSHSE | 1 | Mus musculus | D128 | VNYTPDLTHSE | 1 | Bos taurus | D162 | HDGIADIMISF | 1 | Homo sapiens | D162 | YDGTADIMISF | 1 | Mus musculus | D162 | HNGTADIMISF | 1 | Bos taurus | D174 | TKEHGDFYPFD | 2 | Mus musculus, Bos taurus | D174 | IKEHGDFYPFD | 1 | Homo sapiens | D179 | DFYPFDGPSGL | 3 | Homo sapiens, Mus musculus, Bos taurus | D198 | PNYGGDAHFDD | 3 | Homo sapiens, Mus musculus, Bos taurus | D202 | GDAHFDDDETW | 3 | Homo sapiens, Mus musculus, Bos taurus | D203 | DAHFDDDETWT | 3 | Homo sapiens, Mus musculus, Bos taurus | D204 | AHFDDDETWTS | 3 | Homo sapiens, Mus musculus, Bos taurus | D231 | HSLGLDHSKDP | 3 | Homo sapiens, Mus musculus, Bos taurus | D291 | PSLSLDAITSL | 2 | Homo sapiens, Bos taurus | D291 | PALSLDAITSL | 1 | Mus musculus | D335 | LPNRIDAAYEH | 2 | Homo sapiens, Bos taurus | D335 | LPNHVDAAYEH | 1 | Mus musculus | D361 | ALNGYDILEGY | 2 | Homo sapiens, Mus musculus | D361 | ALSGYDILEDY | 1 | Bos taurus | D432 | IGDKVDAVYEK | 1 | Homo sapiens | D432 | IGNKVDAVYEK | 1 | Mus musculus | D432 | IGDKVDAVYQK | 1 | Bos taurus | E205 | HFDDDETWTSS | 3 | Homo sapiens, Mus musculus, Bos taurus | E223 | LVAAHEFGHSL | 2 | Homo sapiens, Bos taurus | E223 | IVAAHELGHSL | 1 | Mus musculus | F107 | GEYNVFPRTLK | 3 | Homo sapiens, Mus musculus, Bos taurus | F175 | KEHGDFYPFDG | 3 | Homo sapiens, Mus musculus, Bos taurus | F189 | LLAHAFPPGPN | 3 | Homo sapiens, Mus musculus, Bos taurus | F217 | KGYNLFLVAAH | 2 | Homo sapiens, Bos taurus | F217 | KGYNLFIVAAH | 1 | Mus musculus | F241 | PGALMFPIYTY | 3 | Homo sapiens, Mus musculus, Bos taurus | F252 | TGKSHFMLPDD | 3 | Homo sapiens, Mus musculus, Bos taurus | G173 | GTKEHGDFYPF | 2 | Mus musculus, Bos taurus | G173 | GIKEHGDFYPF | 1 | Homo sapiens | G180 | FYPFDGPSGLL | 3 | Homo sapiens, Mus musculus, Bos taurus | G183 | FDGPSGLLAHA | 3 | Homo sapiens, Mus musculus, Bos taurus | G196 | PGPNYGGDAHF | 3 | Homo sapiens, Mus musculus, Bos taurus | G237 | HSKDPGALMFP | 3 | Homo sapiens, Mus musculus, Bos taurus | G248 | IYTYTGKSHFM | 3 | Homo sapiens, Mus musculus, Bos taurus | G269 | SLYGPGDEDPN | 1 | Homo sapiens | G269 | FLYGPGDEDPN | 1 | Mus musculus | G269 | SLYGPGDEDPY | 1 | Bos taurus | H131 | TPDMTHSEVEK | 1 | Homo sapiens | H131 | TPDMSHSEVEK | 1 | Mus musculus | H131 | TPDLTHSEVEK | 1 | Bos taurus | H172 | FGTKEHGDFYP | 2 | Mus musculus, Bos taurus | H172 | FGIKEHGDFYP | 1 | Homo sapiens | H187 | SGLLAHAFPPG | 3 | Homo sapiens, Mus musculus, Bos taurus | H200 | YGGDAHFDDDE | 3 | Homo sapiens, Mus musculus, Bos taurus | H222 | FLVAAHEFGHS | 2 | Homo sapiens, Bos taurus | H222 | FIVAAHELGHS | 1 | Mus musculus | H226 | AHEFGHSLGLD | 2 | Homo sapiens, Bos taurus | H226 | AHELGHSLGLD | 1 | Mus musculus | H232 | SLGLDHSKDPG | 3 | Homo sapiens, Mus musculus, Bos taurus | H251 | YTGKSHFMLPD | 3 | Homo sapiens, Mus musculus, Bos taurus | I243 | ALMFPIYTYTG | 3 | Homo sapiens, Mus musculus, Bos taurus | I293 | LSLDAITSLRG | 3 | Homo sapiens, Mus musculus, Bos taurus | K140 | EKAFRKAFKVW | 2 | Mus musculus, Bos taurus | K140 | EKAFKKAFKVW | 1 | Homo sapiens | K249 | YTYTGKSHFML | 3 | Homo sapiens, Mus musculus, Bos taurus | L111 | VFPRTLKWSKM | 2 | Homo sapiens, Bos taurus | L111 | VFPRTLKWSQT | 1 | Mus musculus | L184 | DGPSGLLAHAF | 3 | Homo sapiens, Mus musculus, Bos taurus | L185 | GPSGLLAHAFP | 3 | Homo sapiens, Mus musculus, Bos taurus | L218 | GYNLFLVAAHE | 2 | Homo sapiens, Bos taurus | L218 | GYNLFIVAAHE | 1 | Mus musculus | L239 | KDPGALMFPIY | 3 | Homo sapiens, Mus musculus, Bos taurus | L322 | DAELFLTKSFW | 1 | Homo sapiens | L322 | EAELFLTKSFW | 1 | Mus musculus | L322 | EAELFLTKSFG | 1 | Bos taurus | M164 | GTADIMISFGT | 2 | Mus musculus, Bos taurus | M164 | GIADIMISFGI | 1 | Homo sapiens | M240 | DPGALMFPIYT | 3 | Homo sapiens, Mus musculus, Bos taurus | M253 | GKSHFMLPDDD | 3 | Homo sapiens, Mus musculus, Bos taurus | N194 | FPPGPNYGGDA | 3 | Homo sapiens, Mus musculus, Bos taurus | N215 | SSKGYNLFLVA | 2 | Homo sapiens, Bos taurus | N215 | SSKGYNLFIVA | 1 | Mus musculus | N358 | KFWALNGYDIL | 2 | Homo sapiens, Mus musculus | N358 | KFWALSGYDIL | 1 | Bos taurus | P108 | EYNVFPRTLKW | 3 | Homo sapiens, Mus musculus, Bos taurus | P127 | IVNYTPDMTHS | 1 | Homo sapiens | P127 | IVNYTPDMSHS | 1 | Mus musculus | P127 | IVNYTPDLTHS | 1 | Bos taurus | P181 | YPFDGPSGLLA | 3 | Homo sapiens, Mus musculus, Bos taurus | P190 | LAHAFPPGPNY | 3 | Homo sapiens, Mus musculus, Bos taurus | P193 | AFPPGPNYGGD | 3 | Homo sapiens, Mus musculus, Bos taurus | P236 | DHSKDPGALMF | 3 | Homo sapiens, Mus musculus, Bos taurus | P242 | GALMFPIYTYT | 3 | Homo sapiens, Mus musculus, Bos taurus | P255 | SHFMLPDDDVQ | 3 | Homo sapiens, Mus musculus, Bos taurus | P328 | TKSFWPELPNR | 1 | Homo sapiens | P328 | TKSFWPELPNH | 1 | Mus musculus | P328 | TKSFGPELPNR | 1 | Bos taurus | R109 | YNVFPRTLKWS | 3 | Homo sapiens, Mus musculus, Bos taurus | S146 | AFKVWSDVTPL | 3 | Homo sapiens, Mus musculus, Bos taurus | S182 | PFDGPSGLLAH | 3 | Homo sapiens, Mus musculus, Bos taurus | S250 | TYTGKSHFMLP | 3 | Homo sapiens, Mus musculus, Bos taurus | S383 | EVKKISAAVHF | 1 | Homo sapiens | S383 | EVKRLSAAVHF | 1 | Mus musculus | S383 | HVKKISAALHF | 1 | Bos taurus | T126 | RIVNYTPDMTH | 1 | Homo sapiens | T126 | RIVNYTPDMSH | 1 | Mus musculus | T126 | RIVNYTPDLTH | 1 | Bos taurus | T130 | YTPDMTHSEVE | 1 | Homo sapiens | T130 | YTPDMSHSEVE | 1 | Mus musculus | T130 | YTPDLTHSEVE | 1 | Bos taurus | T149 | VWSDVTPLNFT | 3 | Homo sapiens, Mus musculus, Bos taurus | T206 | FDDDETWTSSS | 3 | Homo sapiens, Mus musculus, Bos taurus | T245 | MFPIYTYTGKS | 3 | Homo sapiens, Mus musculus, Bos taurus | T247 | PIYTYTGKSHF | 3 | Homo sapiens, Mus musculus, Bos taurus | T294 | SLDAITSLRGE | 3 | Homo sapiens, Mus musculus, Bos taurus | V219 | YNLFLVAAHEF | 2 | Homo sapiens, Bos taurus | V219 | YNLFIVAAHEL | 1 | Mus musculus | V386 | KISAAVHFEDT | 1 | Homo sapiens | V386 | RLSAAVHFENT | 1 | Mus musculus | V386 | KISAALHFEDS | 1 | Bos taurus | V434 | DKVDAVYEKNG | 1 | Homo sapiens | V434 | NKVDAVYEKNG | 1 | Mus musculus | V434 | DKVDAVYQKNG | 1 | Bos taurus | W207 | DDDETWTSSSK | 3 | Homo sapiens, Mus musculus, Bos taurus | Y176 | EHGDFYPFDGP | 3 | Homo sapiens, Mus musculus, Bos taurus | Y195 | PPGPNYGGDAH | 3 | Homo sapiens, Mus musculus, Bos taurus | Y214 | SSSKGYNLFLV | 2 | Homo sapiens, Bos taurus | Y214 | SSSKGYNLFIV | 1 | Mus musculus | Y244 | LMFPIYTYTGK | 3 | Homo sapiens, Mus musculus, Bos taurus | Y246 | FPIYTYTGKSH | 3 | Homo sapiens, Mus musculus, Bos taurus | Y338 | RIDAAYEHPSH | 2 | Homo sapiens, Bos taurus | Y338 | HVDAAYEHPSR | 1 | Mus musculus | Y360 | WALNGYDILEG | 2 | Homo sapiens, Mus musculus | Y360 | WALSGYDILED | 1 | Bos taurus | Y435 | KVDAVYEKNGY | 2 | Homo sapiens, Mus musculus | Y435 | KVDAVYQKNGY | 1 | Bos taurus |