Structure of PDB 7y6i Chain A Binding Site BS09

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 1109 [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)		V179 A368 I369 L376 M377 T383
Binding residue
(residue number reindexed from 1)		V43 A232 I233 L240 M241 T247
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

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Molecular Function
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Biological Process
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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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