Structure of PDB 7zyi Chain A Binding Site BS03

Receptor Information
>7zyi Chain A (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKGLAIALVAQ
YGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNL
SIVMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLI
PCTIGIVLKSKRPQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAM
TPLLIATSSLMPFIGFLLGYVLSALFCLNGRCRRTVSMETGCQNVQLCST
ILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLLIAIFWCYEKFK
Ligand information
Ligand IDCHO
InChIInChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChIKeyGHCZAUBVMUEKKP-GYPHWSFCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
OpenEye OEToolkits 1.7.6C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
OpenEye OEToolkits 1.7.6CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
ACDLabs 12.01O=C(O)CNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C
CACTVS 3.370C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
FormulaC26 H43 N O5
NameGLYCOCHENODEOXYCHOLIC ACID
ChEMBLCHEMBL1552
DrugBankDB02123
ZINCZINC000003914812
PDB chain7zyi Chain A Residue 703 [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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PDB7zyi Structure of human NTCP reveals the basis of recognition and sodium-driven transport of bile salts into the liver.
Resolution2.88 Å
Binding residue
(original residue number in PDB)		L35 N262 Q264
Binding residue
(residue number reindexed from 1)		L17 N244 Q246
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001618 virus receptor activity
GO:0005515 protein binding
GO:0008508 bile acid:sodium symporter activity
GO:0015125 bile acid transmembrane transporter activity
GO:0015293 symporter activity
Biological Process
GO:0006814 sodium ion transport
GO:0006869 lipid transport
GO:0014070 response to organic cyclic compound
GO:0015721 bile acid and bile salt transport
GO:0031667 response to nutrient levels
GO:0043627 response to estrogen
GO:0045471 response to ethanol
GO:0046718 symbiont entry into host cell
GO:0055085 transmembrane transport
GO:0071466 cellular response to xenobiotic stimulus
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zyi, PDBe:7zyi, PDBj:7zyi
PDBsum7zyi
PubMed35726088
UniProtQ14973|NTCP_HUMAN Hepatic sodium/bile acid cotransporter (Gene Name=SLC10A1)

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