Structure of PDB 7y6i Chain B Binding Site BS09

Receptor Information

>7y6i Chain B (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 ID

LPE

InChI

InChI=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

InChIKey

XKBJVQHMEXMFDZ-AREMUKBSSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
ACDLabs 10.04	O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
CACTVS 3.341	CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O)OCC[N+](C)(C)C
CACTVS 3.341	CCCCCCCCCCCCCCCCCCOC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C

Formula

C26 H57 N O6 P

Name

1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
LPC-ETHER

PDB chain

7y6i Chain B Residue 1111 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7y6i Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Resolution	2.85 Å
Binding residue (original residue number in PDB)	V179 L376 M377 F380 T383 I384
Binding residue (residue number reindexed from 1)	V43 L240 M241 F244 T247 I248
Annotation score	1

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
PDBsum	7y6i
PubMed	36351028
UniProt	P55017\|S12A3_HUMAN Solute carrier family 12 member 3 (Gene Name=SLC12A3)

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