Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
ZN | | ZINC(2+) | 3glr | A | C280 | ZN | | ZINC(2+) | 3gls | A | C280 | ZN | | ZINC(2+) | 3gls | B | C280 | ZN | | ZINC(2+) | 3gls | C | C280 | ZN | | ZINC(2+) | 3gls | D | C280 | ZN | | ZINC(2+) | 3gls | E | C280 | ZN | | ZINC(2+) | 3gls | F | C280 | ZN | | ZINC(2+) | 3glt | A | C280 | ZN | | ZINC(2+) | 3glu | A | C280 | ZN | | ZINC(2+) | 4fvt | A | C280 | ZN | | ZINC(2+) | 4hd8 | A | C280 | ZN | | ZINC(2+) | 4fz3 | A | C280 | ZN | | ZINC(2+) | 4jsr | A | C280 | ZN | | ZINC(2+) | 4jt8 | A | C280 | ZN | | ZINC(2+) | 4jt9 | A | C280 | ZN | | ZINC(2+) | 4bn4 | A | C280 | ZN | | ZINC(2+) | 4bn5 | A | C280 | ZN | | ZINC(2+) | 4bn5 | B | C280 | ZN | | ZINC(2+) | 4bn5 | C | C280 | ZN | | ZINC(2+) | 4bn5 | D | C280 | ZN | | ZINC(2+) | 4bn5 | E | C280 | ZN | | ZINC(2+) | 4bn5 | F | C280 | ZN | | ZINC(2+) | 4bn5 | G | C280 | ZN | | ZINC(2+) | 4bn5 | H | C280 | ZN | | ZINC(2+) | 4bn5 | I | C280 | ZN | | ZINC(2+) | 4bn5 | J | C280 | ZN | | ZINC(2+) | 4bn5 | K | C280 | ZN | | ZINC(2+) | 4bn5 | L | C280 | ZN | | ZINC(2+) | 4bv3 | A | C280 | ZN | | ZINC(2+) | 4bvb | A | C280 | ZN | | ZINC(2+) | 4bve | A | C280 | ZN | | ZINC(2+) | 4bvf | A | C280 | ZN | | ZINC(2+) | 4bvg | A | C280 | ZN | | ZINC(2+) | 4bvh | A | C280 | ZN | | ZINC(2+) | 4bvh | B | C280 | ZN | | ZINC(2+) | 4bvh | C | C280 | ZN | | ZINC(2+) | 4c78 | A | C280 | ZN | | ZINC(2+) | 4c7b | A | C280 | ZN | | ZINC(2+) | 4v1c | A | C280 | ZN | | ZINC(2+) | 4v1c | B | C280 | ZN | | ZINC(2+) | 4v1c | E | C280 | ZN | | ZINC(2+) | 4v1c | G | C280 | ZN | | ZINC(2+) | 4v1c | I | C280 | ZN | | ZINC(2+) | 4o8z | A | C280 | ZN | | ZINC(2+) | 5d7n | A | C280 | ZN | | ZINC(2+) | 5d7n | B | C280 | ZN | | ZINC(2+) | 5d7n | C | C280 | ZN | | ZINC(2+) | 5d7n | D | C280 | ZN | | ZINC(2+) | 5d7n | E | C280 | ZN | | ZINC(2+) | 5d7n | F | C280 | III | | Peptide ligand (LYS,VAL,MET) | 3glu | A | G295 | PIT | | PICEATANNOL | 4hd8 | A | G295 | III | | Peptide ligand (THR,ARG,SER,GLY,LYS,VAL,MET,ARG) | 4bvg | A | G295 | III | | Peptide ligand (GLY,LYS,VAL,MET,ARG,ARG,LEU) | 4c78 | A | G295 | III | | Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) | 4v1c | G | G295 | III | | Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) | 4v1c | I | G295 | III | | Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) | 4v1c | A | G295 W353 | III | | Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) | 4v1c | B | G295 W353 | III | | Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) | 4v1c | E | G295 W353 | III | | Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) | 4v1c | K | G295 W353 | 1NQ | | N-{2-[1-(6-CARBAMOYLTHIENO[3,2-D]PYRIMIDIN-4-YL) PIPERIDIN-4-YL]ETHYL}-N'-ETHYLTHIOPHENE-2,5- DICARBOXAMIDE | 4jsr | A | I154 | 1NS | | 4-(4-{2-[(METHYLSULFONYL)AMINO]ETHYL}PIPERIDIN-1-YL) THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDE | 4jt9 | A | I154 | SR7 | | N-{2-[3-(PIPERAZIN-1-YLMETHYL)IMIDAZO[2,1-B] [1,3]THIAZOL-6-YL]PHENYL}QUINOXALINE-2- CARBOXAMIDE | 4bn5 | G | I154 | SR7 | | N-{2-[3-(PIPERAZIN-1-YLMETHYL)IMIDAZO[2,1-B] [1,3]THIAZOL-6-YL]PHENYL}QUINOXALINE-2- CARBOXAMIDE | 4bn5 | I | I154 | OCZ | | (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE | 4bvb | A | I154 I291 | OCZ | | (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE | 4bvh | C | I154 I291 | OP2 | | 2-[2-[2-[2-[2-(2-HYDROXYETHYLOXY)ETHOXY] ETHOXY]ETHOXY]ETHOXY]ETHANOIC ACID | 4bn4 | A | I154 Y171 P191 | OCZ | | (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE | 4bv3 | A | I291 | OCZ | | (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE | 4bvh | A | I291 | OCZ | | (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE | 4bvh | B | I291 | III | | Peptide ligand (SER,GLY,LYS,VAL,LEU) | 4fvt | A | I291 G295 | III | | Peptide ligand (ARG,HIS,LYS,LYS) | 4hd8 | A | I291 G295 | III | | Peptide ligand (ACE,ARG,HIS,LYS,LYS,MCM) | 4fz3 | A | I291 G295 | III | | Peptide ligand (ARG,HIS,LYS,LYS) | 4c7b | A | I291 G295 | III | | Peptide ligand (ARG,SER,GLY,LYS,VAL,MET,ARG) | 3glr | A | I291 G295 W353 | BVB | | 5-[(E)-2-(4-BROMOPHENYL)ETHENYL]BENZENE-1,3- DIOL | 4c7b | A | L173 | BVB | | 5-[(E)-2-(4-BROMOPHENYL)ETHENYL]BENZENE-1,3- DIOL | 4c78 | A | R335 | III | | Peptide ligand (SER,GLY,LYS,VAL,MET,ARG) | 4bve | A | T150 G295 R345 | III | | Peptide ligand (SER,GLY,LYS,VAL,MET,ARG) | 4bvf | A | T150 G295 R345 W353 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | A | T150 I154 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | B | T150 I154 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | C | T150 I154 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | D | T150 I154 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | F | T150 I154 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | I | T150 I154 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | J | T150 I154 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | L | T150 I154 R345 | III | | Peptide ligand (SER,GLY,LYS,VAL,MET,ARG) | 3glt | A | T150 I291 G295 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4fvt | A | T150 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | E | T150 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | G | T150 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | H | T150 R345 | CNA | | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 4bn5 | K | T150 R345 | APR | | ADP-RIBOSE | 4bv3 | A | T150 R345 | AR6 | | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 4bvb | A | T150 R345 | OAD | | 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE | 4bvh | A | T150 R345 | OAD | | 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE | 4bvg | A | T150 Y165 I291 R345 | AR6 | | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 4bn4 | A | T150 Y165 R345 | NAD | | NAD ZWITTERION | 4bv3 | A | T150 Y165 R345 | AR6 | | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 4bvh | B | T150 Y165 R345 | OAD | | 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE | 4bvh | C | T150 Y165 R345 | 1NR | | 4-(4-{2-[(2,2-DIMETHYLPROPANOYL)AMINO]ETHYL}PIPERIDIN- 1-YL)THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDE | 4jt8 | A | Y165 |