Structure of PDB 7k4b Chain D Binding Site BS02

Receptor Information
>7k4b Chain D (length=607) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WFQRRESWAQSRDEQNLLQQKRIWESPLLLAAKDNDVQALNKLLKYEDCK
VHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTAL
HIAVVNQNMNLVRALLARRASVSARATGTAFRRSPCNLIYFGEHPLSFAA
CVNSEEIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLS
YDRHGDHLQPLDLVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHTQWTYG
PLTSTLYDLTEIDSSGDEQSLLELIITTKKREARQILDQTPVKELVSLKW
KRYGRPYFCMLGAIYLLYIICFTMCCIYRPLKPRTNNRTSPRDNTLLQQK
LLQEAYMTPKDDIRLVGELVTVIGAIIILLVEVPDIFRMGVTPFHVLIIT
YAFMVLVTMVMRLISASGEVVPMSFALVLGWCNVMYFARGFQMLGPFTIM
IQKMIFGDLMRFCWLMAVVILGFASAFYIIFQTEDPEELGHFYDYPMALF
STFELFLTIIDGPANYNVDLPFMYSITYAAFAIIATLLMLNLLIAMMGDT
HWRVAHERDELWRAQIVATTVMLERKLPRCLWPRSGICGREYGLGDRWFL
RVEDRQD
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7k4b Chain D Residue 704 [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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PDB7k4b Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		L551 F553 S556 I557 I564
Binding residue
(residue number reindexed from 1)		L520 F522 S525 I526 I533
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005262 calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7k4b, PDBe:7k4b, PDBj:7k4b
PDBsum7k4b
PubMed33246965
UniProtQ9H1D0|TRPV6_HUMAN Transient receptor potential cation channel subfamily V member 6 (Gene Name=TRPV6)

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