Structure of PDB 7y6i Chain A Binding Site BS08

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 IDLPE
InChIInChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1
InChIKeyXKBJVQHMEXMFDZ-AREMUKBSSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
ACDLabs 10.04O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
CACTVS 3.341CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O)OCC[N+](C)(C)C
CACTVS 3.341CCCCCCCCCCCCCCCCCCOC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
FormulaC26 H57 N O6 P
Name1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
LPC-ETHER
ChEMBL
DrugBankDB03633
ZINCZINC000008860508
PDB chain7y6i Chain A Residue 1108 [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)		T180 S183 Q563
Binding residue
(residue number reindexed from 1)		T44 S47 Q427
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
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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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