Structure of PDB 7y6i Chain A Binding Site BS07

Receptor Information
>7y6i Chain A (length=469) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWVKGVMIRCMLNIWGVILYLRLPWITAQAGIVLTWIIILLSVTVTSITG
LSISAISTNGKVKSGGTYFLISRSLGPELGGSIGLIFAFANAVGVAMHTV
GFAETVRDLLQEYGAPIVDPINDIRIIGVVSVTVLLAISLAGMEWESKAQ
VLFFLVIMVSFANYLVGTLIPPSEDKASKGFFSYRADIFVQNLVPDWRGP
DGTFFGMFSIFFPSATGILAGANISGDLKDPAIAIPKGTLMAIFWTTISY
LAISATIGSCVVRDASGVLNDTVTPGWGACEGLACSYGWNFTECTQQHSC
HYGLINYYQTMSMVSGFAPLITAGIFGATLSSALACLVSAAKVFQCLCED
QLYPLIGFFGKGYGKNKEPVRGYLLAYAIAVAFIIIAELNTIAPIISNFF
LCSYALINFSCFHASITNSPGWRPSFQYYNKWAALFGAIISVVIMFLLTW
WAALIAIGVVLFLLLYVIY
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 chain7y6i Chain A Residue 1107 [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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PDB7y6i Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		W568 L571 F572 I575
Binding residue
(residue number reindexed from 1)		W432 L435 F436 I439
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008511 sodium:potassium:chloride symporter activity
GO:0015081 sodium ion transmembrane transporter activity
GO:0015293 symporter activity
GO:0015377 chloride:monoatomic cation symporter activity
GO:0015378 sodium:chloride symporter activity
GO:0022857 transmembrane transporter activity
GO:0046873 metal ion transmembrane transporter activity
Biological Process
GO:0002021 response to dietary excess
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0006884 cell volume homeostasis
GO:0007165 signal transduction
GO:0035725 sodium ion transmembrane transport
GO:0055064 chloride ion homeostasis
GO:0055075 potassium ion homeostasis
GO:0055078 sodium ion homeostasis
GO:0055085 transmembrane transport
GO:0070294 renal sodium ion absorption
GO:1902476 chloride transmembrane transport
GO:1904044 response to aldosterone
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7y6i, PDBe:7y6i, PDBj:7y6i
PDBsum7y6i
PubMed36351028
UniProtP55017|S12A3_HUMAN Solute carrier family 12 member 3 (Gene Name=SLC12A3)

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