Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
HGI | | MERCURY DIIODIDE | 1j99 | A | C55 | AE2 | | 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE | 2qp4 | A | F18 W134 Y238 | AE2 | | 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE | 1ov4 | A | F18 W72 W134 | AE2 | | 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE | 2qp3 | A | F18 W72 W134 | A3P | | ADENOSINE 3',5'-BISPHOSPHATE | 1efh | A | G46 W49 R121 S129 | A3P | | ADENOSINE 3',5'-BISPHOSPHATE | 1efh | B | G46 W49 R121 S129 | A3P | | ADENOSINE 3',5'-BISPHOSPHATE | 3f3y | A | G46 W49 R121 S129 | A3P | | ADENOSINE 3',5'-BISPHOSPHATE | 3f3y | B | G46 W49 R121 S129 | A3P | | ADENOSINE 3',5'-BISPHOSPHATE | 3f3y | C | G46 W49 R121 S129 | A3P | | ADENOSINE 3',5'-BISPHOSPHATE | 3f3y | D | G46 W49 R121 S129 | PPS | | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE | 4ifb | A | G46 W49 R121 S129 | PPS | | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE | 4ifb | B | G46 W49 R121 S129 | 4OA | | LITHOCHOLIC ACID | 3f3y | A | P14 F18 W72 M137 F139 Y238 | 4OA | | LITHOCHOLIC ACID | 3f3y | C | P14 F18 W72 M137 Y238 | 4OA | | LITHOCHOLIC ACID | 3f3y | D | P14 F18 W72 W134 F139 Y238 | 4OA | | LITHOCHOLIC ACID | 3f3y | B | P14 F18 W72 W134 M137 F139 Y238 | AND | | DEHYDROEPIANDROSTERONE | 1j99 | A | P14 M16 M137 Y238 |
LBS | AA sequence | # species | Species |
C154 | YFEWFCQGTVL | 1 | Homo sapiens | C154 | YFEWFLKGNVL | 1 | Mus musculus | C154 | YVEWFLKGNVL | 1 | Rattus norvegicus | C154 | YVEWFLKGYVP | 1 | Rattus norvegicus | C199 | TIKKICDFLGK | 3 | Mus musculus, Rattus norvegicus, Rattus norvegicus | C199 | TIEKICQFLGK | 1 | Homo sapiens | C55 | LIEIVCLIQTK | 3 | Mus musculus, Rattus norvegicus, Rattus norvegicus | C55 | LAEILCLMHSK | 1 | Homo sapiens | D265 | VAQAEAFDKVF | 2 | Mus musculus, Rattus norvegicus | D265 | VAQAEDFDKLF | 1 | Homo sapiens | D265 | VSQAEAFDKVF | 1 | Rattus norvegicus | F133 | VSGYFFWKNMK | 1 | Homo sapiens | F133 | VSGYFFWGNTN | 1 | Mus musculus | F133 | VSGYYFWGNST | 1 | Rattus norvegicus | F133 | VSGYYFWGKTT | 1 | Rattus norvegicus | F139 | WKNMKFIKKPK | 1 | Homo sapiens | F139 | WGNTNLVKNPG | 1 | Mus musculus | F139 | WGNSTLVKKPD | 1 | Rattus norvegicus | F139 | WGKTTLAKKPD | 1 | Rattus norvegicus | F150 | SLGTYVEWFLK | 2 | Rattus norvegicus, Rattus norvegicus | F150 | SWEEYFEWFCQ | 1 | Homo sapiens | F150 | SLGTYFEWFLK | 1 | Mus musculus | F18 | FPTMGFRSETL | 1 | Homo sapiens | F18 | FPAISYQREIL | 1 | Mus musculus | F18 | FHAFGISKETL | 1 | Rattus norvegicus | F18 | FPAFGIPKETL | 1 | Rattus norvegicus | F220 | LKYSSFQVMKE | 2 | Rattus norvegicus, Rattus norvegicus | F220 | LKNSSFQSMKE | 1 | Homo sapiens | F220 | LKYSSFQAMKE | 1 | Mus musculus | F266 | AQAEAFDKVFQ | 2 | Mus musculus, Rattus norvegicus | F266 | AQAEDFDKLFQ | 1 | Homo sapiens | F266 | SQAEAFDKVFQ | 1 | Rattus norvegicus | G203 | ICDFLGKKLEP | 2 | Rattus norvegicus, Rattus norvegicus | G203 | ICQFLGKTLEP | 1 | Homo sapiens | G203 | ICDFLGKNLGP | 1 | Mus musculus | G249 | QLLRKGVSGDW | 1 | Homo sapiens | G249 | KLMRKGTIGDW | 1 | Mus musculus | G249 | GLMRKGTIGDW | 1 | Rattus norvegicus | G249 | TFMRNGTTGDW | 1 | Rattus norvegicus | G46 | TYPKSGTNWLI | 2 | Mus musculus, Rattus norvegicus | G46 | TYPKSGTNWLA | 1 | Homo sapiens | G46 | AYPKSGTNWLI | 1 | Rattus norvegicus | H99 | RLFSSHLPIQL | 1 | Homo sapiens | H99 | RLITSHLPIHL | 1 | Mus musculus | H99 | RLMTSHLPMHL | 1 | Rattus norvegicus | H99 | RLITSHLPMHL | 1 | Rattus norvegicus | I82 | WVESEIGYTAL | 1 | Homo sapiens | I82 | WIETDIGYSAL | 1 | Mus musculus | I82 | WIETDVGYDIL | 1 | Rattus norvegicus | I82 | WIETDLGYDML | 1 | Rattus norvegicus | K204 | CDFLGKKLEPD | 2 | Rattus norvegicus, Rattus norvegicus | K204 | CQFLGKTLEPE | 1 | Homo sapiens | K204 | CDFLGKNLGPD | 1 | Mus musculus | K248 | AQLLRKGVSGD | 1 | Homo sapiens | K248 | LKLMRKGTIGD | 1 | Mus musculus | K248 | IGLMRKGTIGD | 1 | Rattus norvegicus | K248 | FTFMRNGTTGD | 1 | Rattus norvegicus | K44 | ILTYPKSGTNW | 2 | Homo sapiens, Mus musculus | K44 | LLAYPKSGTNW | 1 | Rattus norvegicus | K44 | LLTYPKSGTNW | 1 | Rattus norvegicus | L206 | FLGKKLEPDEL | 2 | Rattus norvegicus, Rattus norvegicus | L206 | FLGKTLEPEEL | 1 | Homo sapiens | L206 | FLGKNLGPDEL | 1 | Mus musculus | L234 | SNYSLLSVDYV | 1 | Homo sapiens | L234 | SNFSLIKEDQV | 1 | Mus musculus | L234 | SNYSLLMKKSI | 1 | Rattus norvegicus | L234 | SNYNLMEKELI | 1 | Rattus norvegicus | L245 | VDKAQLLRKGV | 1 | Homo sapiens | L245 | TNGLKLMRKGT | 1 | Mus musculus | L245 | FTGIGLMRKGT | 1 | Rattus norvegicus | L245 | LPGFTFMRNGT | 1 | Rattus norvegicus | L246 | DKAQLLRKGVS | 1 | Homo sapiens | L246 | NGLKLMRKGTI | 1 | Mus musculus | L246 | TGIGLMRKGTI | 1 | Rattus norvegicus | L246 | PGFTFMRNGTT | 1 | Rattus norvegicus | L95 | TESPRLFSSHL | 1 | Homo sapiens | L95 | KEGPRLITSHL | 1 | Mus musculus | L95 | KKGPRLMTSHL | 1 | Rattus norvegicus | L95 | KKGPRLITSHL | 1 | Rattus norvegicus | M137 | FFWKNMKFIKK | 1 | Homo sapiens | M137 | FFWGNTNLVKN | 1 | Mus musculus | M137 | YFWGNSTLVKK | 1 | Rattus norvegicus | M137 | YFWGKTTLAKK | 1 | Rattus norvegicus | M16 | IAFPTMGFRSE | 1 | Homo sapiens | M16 | IPFPAISYQRE | 1 | Mus musculus | M16 | IPFHAFGISKE | 1 | Rattus norvegicus | M16 | IPFPAFGIPKE | 1 | Rattus norvegicus | M223 | SSFQSMKENKM | 1 | Homo sapiens | M223 | SSFQAMKENNM | 1 | Mus musculus | M223 | SSFQVMKENDM | 1 | Rattus norvegicus | M223 | SSFQVMKENNM | 1 | Rattus norvegicus | N48 | PKSGTNWLIEI | 3 | Mus musculus, Rattus norvegicus, Rattus norvegicus | N48 | PKSGTNWLAEI | 1 | Homo sapiens | P14 | EGIAFPTMGFR | 1 | Homo sapiens | P14 | EGIPFPAISYQ | 1 | Mus musculus | P14 | EGIPFHAFGIS | 1 | Rattus norvegicus | P14 | EGIPFPAFGIP | 1 | Rattus norvegicus | P43 | IILTYPKSGTN | 1 | Homo sapiens | P43 | LILTYPKSGTN | 1 | Mus musculus | P43 | ILLAYPKSGTN | 1 | Rattus norvegicus | P43 | ILLTYPKSGTN | 1 | Rattus norvegicus | Q200 | IKKICDFLGKK | 2 | Rattus norvegicus, Rattus norvegicus | Q200 | IEKICQFLGKT | 1 | Homo sapiens | Q200 | IKKICDFLGKN | 1 | Mus musculus | R121 | VIYLIRNPRDV | 2 | Rattus norvegicus, Rattus norvegicus | R121 | VIYLMRNPRDV | 1 | Homo sapiens | R121 | AIYLVRNPRDI | 1 | Mus musculus | R247 | KAQLLRKGVSG | 1 | Homo sapiens | R247 | GLKLMRKGTIG | 1 | Mus musculus | R247 | GIGLMRKGTIG | 1 | Rattus norvegicus | R247 | GFTFMRNGTTG | 1 | Rattus norvegicus | S129 | RDVLVSGYYFW | 2 | Rattus norvegicus, Rattus norvegicus | S129 | RDVLVSGYFFW | 1 | Homo sapiens | S129 | RDILVSGYFFW | 1 | Mus musculus | S218 | LVLKYSSFQVM | 2 | Rattus norvegicus, Rattus norvegicus | S218 | LILKNSSFQSM | 1 | Homo sapiens | S218 | LVLKYSSFQAM | 1 | Mus musculus | S219 | VLKYSSFQVMK | 2 | Rattus norvegicus, Rattus norvegicus | S219 | ILKNSSFQSMK | 1 | Homo sapiens | S219 | VLKYSSFQAMK | 1 | Mus musculus | S45 | LTYPKSGTNWL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S45 | LAYPKSGTNWL | 1 | Rattus norvegicus | S80 | SPWVESEIGYT | 1 | Homo sapiens | S80 | SPWIETDIGYS | 1 | Mus musculus | S80 | SPWIETDVGYD | 1 | Rattus norvegicus | S80 | SPWIETDLGYD | 1 | Rattus norvegicus | T205 | DFLGKKLEPDE | 2 | Rattus norvegicus, Rattus norvegicus | T205 | QFLGKTLEPEE | 1 | Homo sapiens | T205 | DFLGKNLGPDE | 1 | Mus musculus | T47 | YPKSGTNWLIE | 3 | Mus musculus, Rattus norvegicus, Rattus norvegicus | T47 | YPKSGTNWLAE | 1 | Homo sapiens | W134 | SGYFFWKNMKF | 1 | Homo sapiens | W134 | SGYFFWGNTNL | 1 | Mus musculus | W134 | SGYYFWGNSTL | 1 | Rattus norvegicus | W134 | SGYYFWGKTTL | 1 | Rattus norvegicus | W49 | KSGTNWLIEIV | 3 | Mus musculus, Rattus norvegicus, Rattus norvegicus | W49 | KSGTNWLAEIL | 1 | Homo sapiens | W65 | KGDPKWIQSVT | 2 | Rattus norvegicus, Rattus norvegicus | W65 | KGDAKWIQSVP | 1 | Homo sapiens | W65 | KGDPKWIQTVP | 1 | Mus musculus | W72 | QSVTIWDRSPW | 2 | Rattus norvegicus, Rattus norvegicus | W72 | QSVPIWERSPW | 1 | Homo sapiens | W72 | QTVPIWNRSPW | 1 | Mus musculus | W77 | WERSPWVESEI | 1 | Homo sapiens | W77 | WNRSPWIETDI | 1 | Mus musculus | W77 | WDRSPWIETDV | 1 | Rattus norvegicus | W77 | WDRSPWIETDL | 1 | Rattus norvegicus | Y184 | FLLLYYEDMKK | 2 | Rattus norvegicus, Rattus norvegicus | Y184 | FLLLSYEELKQ | 1 | Homo sapiens | Y184 | FLVLYYEDIKK | 1 | Mus musculus | Y231 | NKMSNYSLLSV | 1 | Homo sapiens | Y231 | NNMSNFSLIKE | 1 | Mus musculus | Y231 | NDMSNYSLLMK | 1 | Rattus norvegicus | Y231 | NNMSNYNLMEK | 1 | Rattus norvegicus | Y238 | LLSVDYVVDKA | 1 | Homo sapiens | Y238 | LIKEDQVTNGL | 1 | Mus musculus | Y238 | LLMKKSIFTGI | 1 | Rattus norvegicus | Y238 | LMEKELILPGF | 1 | Rattus norvegicus |