Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
NAT | | S-MENASTROL | 1q0b | A | D130 | NAT | | S-MENASTROL | 1q0b | B | D130 | NAT | | S-MENASTROL | 1x88 | A | D130 | NAT | | S-MENASTROL | 1x88 | B | D130 | L47 | | 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL | 1yrs | A | D130 | L47 | | 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL | 1yrs | B | D130 | 3QC | | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | 2fme | A | D130 | 3QC | | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | 2fme | B | D130 | 2AZ | | N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE | 2gm1 | A | D130 | 2AZ | | N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE | 2gm1 | B | D130 | 2AZ | | N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE | 2gm1 | D | D130 | 2AZ | | N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE | 2gm1 | E | D130 | MOY | | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE | 2ieh | A | D130 | MOY | | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE | 2ieh | B | D130 | K01 | | N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE | 2pg2 | A | D130 | K02 | | (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE | 2uyi | A | D130 | K02 | | (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE | 2uyi | B | D130 | K03 | | N,N-DIETHYL-5,5-DIMETHYL-2-(THIOPHENE-2-CARBOXAMIDO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXAMIDE | 2uym | A | D130 | K03 | | N,N-DIETHYL-5,5-DIMETHYL-2-(THIOPHENE-2-CARBOXAMIDO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXAMIDE | 2uym | B | D130 | KZ9 | | (4S)-4-(3-HYDROXYPHENYL)-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE | 2x7c | A | D130 | KZ9 | | (4S)-4-(3-HYDROXYPHENYL)-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE | 2x7c | B | D130 | EGB | | (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE | 2x7d | A | D130 | EGB | | (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE | 2x7d | B | D130 | X7E | | (R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) | 2x7e | A | D130 | X7E | | (R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) | 2x7e | B | D130 | L31 | | 3-[(1R)-2-ACETYL-6-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YL]PHENOL | 3k3b | A | D130 | L31 | | 3-[(1R)-2-ACETYL-6-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YL]PHENOL | 3k3b | B | D130 | K5E | | (4S,5R)-5-HYDROXY-4-(3-HYDROXYPHENYL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE | 3k5e | A | D130 | K5E | | (4S,5R)-5-HYDROXY-4-(3-HYDROXYPHENYL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE | 3k5e | B | D130 | G7X | | ISPINESIB MESILATE | 4a5y | B | D130 | G7X | | ISPINESIB MESILATE | 4a5y | C | D130 | G7X | | ISPINESIB MESILATE | 4ap0 | B | D130 | G7X | | ISPINESIB MESILATE | 4ap0 | C | D130 | G7X | | ISPINESIB MESILATE | 4ap0 | D | D130 | 6LX | | N-(3-AMINOPROPYL)-N-[(1R)-1-(3-BENZYL-7- CHLORO-4-OXO-4H-CHROMEN-2-YL)-2-METHYLPROPYL]-4- METHYLBENZAMIDE | 4as7 | A | D130 | MJQ | | N-(3-AZANYLPROPYL)-N-[(1R)-1-[7-CHLORANYL-4- OXIDANYLIDENE-3-(PHENYLMETHYL)CHROMEN-2-YL]-2- METHYL-PROPYL]-4-METHYL-BENZAMIDE | 4bxn | A | D130 | G7X | | ISPINESIB MESILATE | 4ap0 | A | D130 L171 | CO | | COBALT(2+) | 4b7b | A | E145 D149 | CO | | COBALT(2+) | 4b7b | A | E145 K207 | 4A2 | | (2E)-2-(3-FLUORANYL-4-METHOXY-PHENYL)IMINO-1- [[2-(TRIFLUOROMETHYL)PHENYL]METHYL]-3H- BENZIMIDAZOLE-5-CARBOXYLIC ACID | 3zcw | A | L171 | CA | | CALCIUM(2+) | 4b7b | A | P338 |
LBS | AA sequence | # species | Species |
A133 | EEDPLAGIIPR | 2 | Homo sapiens, Mus musculus | A133 | EDDSDIGIIPR | 1 | Drosophila melanogaster | A133 | EQDPLAGIIPR | 1 | Xenopus tropicalis | A218 | ILEKGAAKRTT | 2 | Homo sapiens, Mus musculus | A218 | LLEKGKERRKT | 1 | Drosophila melanogaster | A218 | ILERGAARRKT | 1 | Xenopus tropicalis | A219 | LEKGAAKRTTA | 2 | Homo sapiens, Mus musculus | A219 | LEKGKERRKTA | 1 | Drosophila melanogaster | A219 | LERGAARRKTA | 1 | Xenopus tropicalis | A224 | AKRTTAATLMN | 2 | Homo sapiens, Mus musculus | A224 | ERRKTATTLMN | 1 | Drosophila melanogaster | A224 | ARRKTASTLMN | 1 | Xenopus tropicalis | A267 | NLVDLAGSENI | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | A267 | NLVDLAGSENV | 1 | Drosophila melanogaster | A334 | RTSIIATISPA | 2 | Homo sapiens, Mus musculus | A334 | KTSIIATISPG | 1 | Drosophila melanogaster | A334 | KTSIIATVSPA | 1 | Xenopus tropicalis | A353 | STLEYAHRAKN | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | A353 | STLEYANRAKN | 1 | Xenopus tropicalis | A74 | DMVFGASTKQI | 2 | Homo sapiens, Mus musculus | A74 | DRSFGPESKQC | 1 | Drosophila melanogaster | A74 | DMVFGPAAKQI | 1 | Xenopus tropicalis | C43 | HSIVECDPVRK | 1 | Homo sapiens | C43 | AEVVDVVGPRE | 1 | Drosophila melanogaster | C43 | HSVLECDAPRK | 1 | Xenopus tropicalis | C43 | HSVVECDHARK | 1 | Mus musculus | C87 | YRSVVCPILDE | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | C87 | YSVVVSPLIEE | 1 | Drosophila melanogaster | D130 | YTWEEDPLAGI | 2 | Homo sapiens, Mus musculus | D130 | SSWEDDSDIGI | 1 | Drosophila melanogaster | D130 | FTWEQDPLAGI | 1 | Xenopus tropicalis | D149 | FEKLTDNGTEF | 2 | Homo sapiens, Mus musculus | D149 | FDELRMMEVEY | 1 | Drosophila melanogaster | D149 | FEKLSENGTEF | 1 | Xenopus tropicalis | D265 | KLNLVDLAGSE | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | D91 | VCPILDEVIMG | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | D91 | VSPLIEEVLNG | 1 | Drosophila melanogaster | E116 | KTFTMEGERSP | 2 | Homo sapiens, Mus musculus | E116 | KTHTMVGNETA | 1 | Drosophila melanogaster | E116 | KTFTMEGERSA | 1 | Xenopus tropicalis | E118 | FTMEGERSPNE | 2 | Homo sapiens, Mus musculus | E118 | HTMVGNETAEL | 1 | Drosophila melanogaster | E118 | FTMEGERSADE | 1 | Xenopus tropicalis | E145 | LHQIFEKLTDN | 2 | Homo sapiens, Mus musculus | E145 | LSHLFDELRMM | 1 | Drosophila melanogaster | E145 | LHQIFEKLSEN | 1 | Xenopus tropicalis | E166 | LEIYNEELFDL | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | E166 | LELYNEELCDL | 1 | Drosophila melanogaster | E215 | VYQILEKGAAK | 2 | Homo sapiens, Mus musculus | E215 | VYKLLEKGKER | 1 | Drosophila melanogaster | E215 | VYHILERGAAR | 1 | Xenopus tropicalis | F113 | GTGKTFTMEGE | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | F113 | GTGKTHTMVGN | 1 | Drosophila melanogaster | F239 | RSHSVFSVTIH | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | F239 | RSHTVFSIVVH | 1 | Drosophila melanogaster | F28 | VRCRPFNLAER | 2 | Homo sapiens, Mus musculus | F28 | VRVRPLNSRER | 1 | Drosophila melanogaster | F28 | VRCRPFNQLER | 1 | Xenopus tropicalis | G105 | TIFAYGQTGTG | 2 | Homo sapiens, Mus musculus | G105 | TVFAYGQTGTG | 2 | Drosophila melanogaster, Xenopus tropicalis | G108 | AYGQTGTGKTF | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | G108 | AYGQTGTGKTH | 1 | Drosophila melanogaster | G110 | GQTGTGKTFTM | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | G110 | GQTGTGKTHTM | 1 | Drosophila melanogaster | G117 | TFTMEGERSPN | 2 | Homo sapiens, Mus musculus | G117 | THTMVGNETAE | 1 | Drosophila melanogaster | G117 | TFTMEGERSAD | 1 | Xenopus tropicalis | G217 | QILEKGAAKRT | 2 | Homo sapiens, Mus musculus | G217 | KLLEKGKERRK | 1 | Drosophila melanogaster | G217 | HILERGAARRK | 1 | Xenopus tropicalis | G268 | LVDLAGSENIG | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | G268 | LVDLAGSENVS | 1 | Drosophila melanogaster | G296 | SLLTLGRVITA | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | G73 | FDMVFGASTKQ | 2 | Homo sapiens, Mus musculus | G73 | FDRSFGPESKQ | 1 | Drosophila melanogaster | G73 | FDMVFGPAAKQ | 1 | Xenopus tropicalis | I136 | PLAGIIPRTLH | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | I136 | SDIGIIPRALS | 1 | Drosophila melanogaster | I163 | VSLLEIYNEEL | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | I163 | ISYLELYNEEL | 1 | Drosophila melanogaster | I213 | DEVYQILEKGA | 2 | Homo sapiens, Mus musculus | I213 | DDVYKLLEKGK | 1 | Drosophila melanogaster | I213 | DEVYHILERGA | 1 | Xenopus tropicalis | I288 | REAGNINQSLL | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | I288 | RETVNINQSLL | 1 | Drosophila melanogaster | I299 | TLGRVITALVE | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | I299 | TLGRVITALVD | 1 | Drosophila melanogaster | I332 | RTRTSIIATIS | 2 | Homo sapiens, Mus musculus | I332 | RTKTSIIATIS | 1 | Drosophila melanogaster | I332 | RTKTSIIATVS | 1 | Xenopus tropicalis | K111 | QTGTGKTFTME | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | K111 | QTGTGKTHTMV | 1 | Drosophila melanogaster | K146 | HQIFEKLTDNG | 2 | Homo sapiens, Mus musculus | K146 | SHLFDELRMME | 1 | Drosophila melanogaster | K146 | HQIFEKLSENG | 1 | Xenopus tropicalis | K207 | ITVHNKDEVYQ | 2 | Homo sapiens, Mus musculus | K207 | IPVHSKDDVYK | 1 | Drosophila melanogaster | K207 | VSVHNKDEVYH | 1 | Xenopus tropicalis | K216 | YQILEKGAAKR | 2 | Homo sapiens, Mus musculus | K216 | YKLLEKGKERR | 1 | Drosophila melanogaster | K216 | YHILERGAARR | 1 | Xenopus tropicalis | K220 | EKGAAKRTTAA | 2 | Homo sapiens, Mus musculus | K220 | EKGKERRKTAT | 1 | Drosophila melanogaster | K220 | ERGAARRKTAS | 1 | Xenopus tropicalis | L160 | SVKVSLLEIYN | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | L160 | TMRISYLELYN | 1 | Drosophila melanogaster | L171 | EELFDLLNPSS | 1 | Homo sapiens | L171 | EELCDLL--ST | 1 | Drosophila melanogaster | L171 | EELFDLLSPSP | 1 | Xenopus tropicalis | L171 | EELFDLLSPSS | 1 | Mus musculus | L214 | EVYQILEKGAA | 2 | Homo sapiens, Mus musculus | L214 | DVYKLLEKGKE | 1 | Drosophila melanogaster | L214 | EVYHILERGAA | 1 | Xenopus tropicalis | L266 | LNLVDLAGSEN | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | L292 | NINQSLLTLGR | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | L293 | INQSLLTLGRV | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | L295 | QSLLTLGRVIT | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | M228 | TAATLMNAYSS | 2 | Homo sapiens, Mus musculus | M228 | TATTLMNAQSS | 1 | Drosophila melanogaster | M228 | TASTLMNAYSS | 1 | Xenopus tropicalis | N229 | AATLMNAYSSR | 2 | Homo sapiens, Mus musculus | N229 | ATTLMNAQSSR | 1 | Drosophila melanogaster | N229 | ASTLMNAYSSR | 1 | Xenopus tropicalis | N287 | AREAGNINQSL | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | N287 | VRETVNINQSL | 1 | Drosophila melanogaster | N289 | EAGNINQSLLT | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | N289 | ETVNINQSLLT | 1 | Drosophila melanogaster | P137 | LAGIIPRTLHQ | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | P137 | DIGIIPRALSH | 1 | Drosophila melanogaster | P27 | VVRCRPFNLAE | 2 | Homo sapiens, Mus musculus | P27 | YVRVRPLNSRE | 1 | Drosophila melanogaster | P27 | VVRCRPFNQLE | 1 | Xenopus tropicalis | P338 | IATISPASLNL | 1 | Homo sapiens | P338 | IATISPGHKDI | 1 | Drosophila melanogaster | P338 | IATVSPASINL | 1 | Xenopus tropicalis | P338 | IATISPASFNL | 1 | Mus musculus | Q106 | IFAYGQTGTGK | 2 | Homo sapiens, Mus musculus | Q106 | VFAYGQTGTGK | 2 | Drosophila melanogaster, Xenopus tropicalis | R119 | TMEGERSPNEE | 1 | Homo sapiens | R119 | TMVGNETAELK | 1 | Drosophila melanogaster | R119 | TMEGERSADEE | 1 | Xenopus tropicalis | R119 | TMEGERSPNEV | 1 | Mus musculus | R221 | KGAAKRTTAAT | 2 | Homo sapiens, Mus musculus | R221 | KGKERRKTATT | 1 | Drosophila melanogaster | R221 | RGAARRKTAST | 1 | Xenopus tropicalis | R24 | IQVVVRCRPFN | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | R24 | IQVYVRVRPLN | 1 | Drosophila melanogaster | R26 | VVVRCRPFNLA | 2 | Homo sapiens, Mus musculus | R26 | VYVRVRPLNSR | 1 | Drosophila melanogaster | R26 | VVVRCRPFNQL | 1 | Xenopus tropicalis | R297 | LLTLGRVITAL | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | R355 | LEYAHRAKNIL | 1 | Homo sapiens | R355 | LEYAHRAKNIQ | 1 | Drosophila melanogaster | R355 | LEYANRAKNIM | 1 | Xenopus tropicalis | R355 | LEYAHRAKNIM | 1 | Mus musculus | S232 | LMNAYSSRSHS | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | S232 | LMNAQSSRSHT | 1 | Drosophila melanogaster | S233 | MNAYSSRSHSV | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | S233 | MNAQSSRSHTV | 1 | Drosophila melanogaster | S235 | AYSSRSHSVFS | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | S235 | AQSSRSHTVFS | 1 | Drosophila melanogaster | S291 | GNINQSLLTLG | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | S291 | VNINQSLLTLG | 1 | Drosophila melanogaster | T107 | FAYGQTGTGKT | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | T109 | YGQTGTGKTFT | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | T109 | YGQTGTGKTHT | 1 | Drosophila melanogaster | T112 | TGTGKTFTMEG | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | T112 | TGTGKTHTMVG | 1 | Drosophila melanogaster | T114 | TGKTFTMEGER | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | T114 | TGKTHTMVGNE | 1 | Drosophila melanogaster | T300 | LGRVITALVER | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | T300 | LGRVITALVDR | 1 | Drosophila melanogaster | V210 | HNKDEVYQILE | 2 | Homo sapiens, Mus musculus | V210 | HSKDDVYKLLE | 1 | Drosophila melanogaster | V210 | HNKDEVYHILE | 1 | Xenopus tropicalis | W127 | NEEYTWEEDPL | 1 | Homo sapiens | W127 | ELKSSWEDDSD | 1 | Drosophila melanogaster | W127 | DEEFTWEQDPL | 1 | Xenopus tropicalis | W127 | NEVYTWEEDPL | 1 | Mus musculus | Y104 | CTIFAYGQTGT | 2 | Homo sapiens, Mus musculus | Y104 | CTVFAYGQTGT | 2 | Drosophila melanogaster, Xenopus tropicalis | Y211 | NKDEVYQILEK | 2 | Homo sapiens, Mus musculus | Y211 | SKDDVYKLLEK | 1 | Drosophila melanogaster | Y211 | NKDEVYHILER | 1 | Xenopus tropicalis | Y352 | LSTLEYAHRAK | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | Y352 | VSTLEYANRAK | 1 | Xenopus tropicalis |