Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
ZN | | ZINC(2+) | 4zg6 | A | D312 | ZN | | ZINC(2+) | 4zg6 | B | D312 | ZN | | ZINC(2+) | 4zg7 | A | D312 | ZN | | ZINC(2+) | 4zg9 | A | D312 | ZN | | ZINC(2+) | 4zg9 | B | D312 | ZN | | ZINC(2+) | 4zga | A | D312 | ZN | | ZINC(2+) | 4zg6 | A | D359 | ZN | | ZINC(2+) | 4zg6 | B | D359 | ZN | | ZINC(2+) | 4zg7 | A | D359 | ZN | | ZINC(2+) | 4zg9 | A | D359 | ZN | | ZINC(2+) | 4zg9 | B | D359 | 4O2 | | 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID | 4zg9 | A | F242 W255 R440 | 4O2 | | 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID | 4zg9 | B | F242 W255 R440 | NKN | | 1-MYRISTOYL-SN-GLYCEROL 3-PHOSPHATE | 4zg7 | A | I168 D312 M513 | 4NY | | 4-{(Z)-2-[6-CHLORO-1-(4-FLUOROBENZYL)-1H-INDOL-3-YL]-1- CYANOETHENYL}BENZOIC ACID | 4zg6 | B | I168 S170 L244 A305 D359 | 4O2 | | 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID | 4zg9 | A | I168 S170 V278 | 4O0 | | 3-({6-CHLORO-7-FLUORO-2-METHYL-1-[2-OXO-2- (SPIRO[CYCLOPROPANE-1,3'-INDOL]-1'(2'H)-YL)ETHYL]-1H- INDOL-3-YL}SULFANYL)-2-FLUOROBENZOIC ACID | 4zg7 | A | L79 W255 V278 | 4NY | | 4-{(Z)-2-[6-CHLORO-1-(4-FLUOROBENZYL)-1H-INDOL-3-YL]-1- CYANOETHENYL}BENZOIC ACID | 4zg6 | A | S170 A305 D359 | 4O2 | | 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID | 4zg9 | B | S170 V278 | ACD | | ARACHIDONIC ACID | 4zga | A | W255 | 4O3 | | (11AS)-6-(4-FLUOROBENZYL)-5,6,11,11A-TETRAHYDRO-1H- IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOLE-1,3(2H)-DIONE | 4zga | A | W255 |
LBS | AA sequence | # species | Species |
A218 | NLYTLATGLYP | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | A305 | RPSVYAFYSEQ | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | D172 | IIFSVDGFRAS | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | D235 | GNSMYDPVFDA | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | D312 | YSEQPDFSGHK | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | D359 | VIFVGDHGMED | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | D673 | LAYKNDKQMSY | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | D740 | SGPIFDYDYDG | 2 | Homo sapiens, Bos taurus | D740 | SGPIFDYNYNG | 1 | Mus musculus | D740 | SGPIFDYNYDG | 1 | Rattus norvegicus | D742 | PIFDYDYDGLH | 2 | Homo sapiens, Bos taurus | D742 | PIFDYNYNGLR | 1 | Mus musculus | D742 | PIFDYNYDGLR | 1 | Rattus norvegicus | D744 | FDYDYDGLHDT | 2 | Homo sapiens, Bos taurus | D744 | FDYNYNGLRDI | 1 | Mus musculus | D744 | FDYNYDGLRDT | 1 | Rattus norvegicus | D748 | YDGLHDTEDKI | 1 | Homo sapiens | D748 | YDGLHDTQDKI | 1 | Bos taurus | D748 | YNGLRDIEDEI | 1 | Mus musculus | D748 | YDGLRDTEDEI | 1 | Rattus norvegicus | F211 | YPTKTFPNLYT | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | F242 | VFDATFHLRGR | 2 | Homo sapiens, Mus musculus | F242 | VFDAHFNLRGR | 1 | Bos taurus | F242 | VFDASFHLRGR | 1 | Rattus norvegicus | F250 | RGREKFNHRWW | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | F274 | VRAGTFFWSVS | 2 | Mus musculus, Rattus norvegicus | F274 | VKAGTFFWSVV | 1 | Homo sapiens | F274 | VIAGTFFWPVV | 1 | Bos taurus | F275 | RAGTFFWSVSI | 2 | Mus musculus, Rattus norvegicus | F275 | KAGTFFWSVVI | 1 | Homo sapiens | F275 | IAGTFFWPVVI | 1 | Bos taurus | H252 | REKFNHRWWGG | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | H316 | PDFSGHKYGPF | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | H360 | IFVGDHGMEDV | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | H475 | FFQGDHGFDNK | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | H747 | DYDGLHDTEDK | 1 | Homo sapiens | H747 | DYDGLHDTQDK | 1 | Bos taurus | H747 | NYNGLRDIEDE | 1 | Mus musculus | H747 | NYDGLRDTEDE | 1 | Rattus norvegicus | I168 | RPPLIIFSVDG | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | K209 | PVYPTKTFPNL | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | K249 | LRGREKFNHRW | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | L214 | KTFPNLYTLAT | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | L217 | PNLYTLATGLY | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | L244 | DATFHLRGREK | 2 | Homo sapiens, Mus musculus | L244 | DAHFNLRGREK | 1 | Bos taurus | L244 | DASFHLRGREK | 1 | Rattus norvegicus | L746 | YDYDGLHDTED | 1 | Homo sapiens | L746 | YDYDGLHDTQD | 1 | Bos taurus | L746 | YNYNGLRDIED | 1 | Mus musculus | L746 | YNYDGLRDTED | 1 | Rattus norvegicus | L79 | CRCDNLCKSYS | 3 | Bos taurus, Mus musculus, Rattus norvegicus | L79 | CRCDNLCKSYT | 1 | Homo sapiens | M513 | ELYNVMCDLLG | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | M676 | KNDKQMSYGFL | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | N231 | HGIVGNSMYDP | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | R285 | IPHERRILTIL | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | R440 | YANNRRIEDIH | 2 | Homo sapiens, Rattus norvegicus | R440 | YANNRRIEDVH | 1 | Bos taurus | R440 | YANNRRIEDLH | 1 | Mus musculus | S170 | PLIIFSVDGFR | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | S277 | GTFFWSVSIPH | 2 | Mus musculus, Rattus norvegicus | S277 | GTFFWSVVIPH | 1 | Homo sapiens | S277 | GTFFWPVVIPH | 1 | Bos taurus | S82 | DNLCKSYSSCC | 3 | Bos taurus, Mus musculus, Rattus norvegicus | S82 | DNLCKSYTSCC | 1 | Homo sapiens | T210 | VYPTKTFPNLY | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | V278 | TFFWSVSIPHE | 2 | Mus musculus, Rattus norvegicus | V278 | TFFWSVVIPHE | 1 | Homo sapiens | V278 | TFFWPVVIPHE | 1 | Bos taurus | W254 | KFNHRWWGGQP | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | W255 | FNHRWWGGQPL | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | W261 | GGQPLWITATK | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | W276 | AGTFFWSVSIP | 2 | Mus musculus, Rattus norvegicus | W276 | AGTFFWSVVIP | 1 | Homo sapiens | W276 | AGTFFWPVVIP | 1 | Bos taurus | Y215 | TFPNLYTLATG | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | Y307 | SVYAFYSEQPD | 4 | Homo sapiens, Bos taurus, Mus musculus, Rattus norvegicus | Y670 | QNCLAYKNDKQ | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Y670 | QSCLAYKNDKQ | 1 | Bos taurus |