Structure of PDB 8pg0 Chain A Binding Site BS03

Receptor Information
>8pg0 Chain A (length=511) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFKMFLAALSFSYIAKALGGIIMKISITQIERRFDISSSLAGLIDGSFEI
GNLLVIVFVSYFGLHRPKLIGIGCLLMGTGSILTSLPHFFMGYYRYHMWI
YVFMGNMLRGIGETPIVPLGISYIDDFALYLGSLNAIGMIGPVIGFALGS
LFAKMYVDIGYVDLSTIRITPKDSRWVGAWWLGFLVSGLFSIISSIPFFF
GFFQSLKSILTNPLYVIFLLLTLLQVSSFIGSFTYVFKYMEQQYGQSASH
ANFLLGIITIPTVATGMFLGGFIIKKFKLSLVGIAKFSFLTSMISFLFQL
LYFPLICESKSVAGLTLTYDGNNSVHVDVPLSYCNSECNCDESQWEPVCG
NNGITYLSPCLAGCKSSSGHTVFYNCSCVESAHLGECPRDNTCTRKFFIY
VAIQVINSLFSATGGTTFILLTVKIVQPELKALAMGFQSMVIRTLGGILA
PIYFGALIDKTCMKWSTQGACRIYNSVFFGRVYLGLSIALRFPALVLYIV
FIFAMKKKFQG
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8pg0 Chain A Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8pg0 Structure of human drug transporters OATP1B1 and OATP1B3.
Resolution2.97 Å
Binding residue
(original residue number in PDB)		S85 F325 L570 G573 F574 M577
Binding residue
(residue number reindexed from 1)		S60 F202 L433 G436 F437 M440
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0008514 organic anion transmembrane transporter activity
GO:0015125 bile acid transmembrane transporter activity
GO:0015347 sodium-independent organic anion transmembrane transporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006805 xenobiotic metabolic process
GO:0006811 monoatomic ion transport
GO:0006869 lipid transport
GO:0010466 negative regulation of peptidase activity
GO:0015711 organic anion transport
GO:0015721 bile acid and bile salt transport
GO:0042167 heme catabolic process
GO:0043252 sodium-independent organic anion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0009925 basal plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8pg0, PDBe:8pg0, PDBj:8pg0
PDBsum8pg0
PubMed37723174
UniProtQ9NPD5|SO1B3_HUMAN Solute carrier organic anion transporter family member 1B3 (Gene Name=SLCO1B3)

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