Structure of PDB 5egh Chain A Binding Site BS04

Receptor Information

>5egh Chain A (length=392) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RKLLVLLLDGFRSDYISEDALASLPGFREIVNRGVKVDYLTPDFPSLSYP
NYYTLMTGRHCEVHQMIGNYMWDPRTNKSFDIGVNRDSLMPLWWNGSEPL
WITLMKARRKVYMYYWPGCEVEILGVRPTYCLEYKTVPTDINFANAVSDA
LDSLKSGRADLAAIYHERIDVEGHHYGPSSPQRKDALRAVDTVLKYMIQW
IQDRGLQQDLNVILFSDHGMTDIFWMDKVIELSNYISLDDLQQVKDRGPV
VSLWPVPGKHSEIYHKLRTVEHMTVYEKESIPNRFYYKKGKFVSPLTLVA
DEGWFIAESREMLPFWMNSTGKREGWQRGWHGYDNELMDMRGIFLAIGPD
FKSNFRAAPIRSVDVYNIMAHVAGITPLPNNGSWSRVVSMLK

Ligand information

Ligand ID

InChI

InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1

InChIKey

YHHSONZFOIEMCP-UHFFFAOYSA-O

SMILES

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OCC[N+](C)(C)C
CACTVS 3.341	C[N+](C)(C)CCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C[N+](C)(C)CCOP(=O)(O)O

Formula

C5 H15 N O4 P

Name

PHOSPHOCHOLINE

PDB chain

5egh Chain A Residue 512 [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	5egh Structure and biological function of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase
Resolution	1.803 Å
Binding residue (original residue number in PDB)	D32 S71 Y75 Y157 Y188 E190 D193 H241 H354
Binding residue (residue number reindexed from 1)	D9 S48 Y52 Y134 Y165 E167 D170 H218 H331
Annotation score	5

Enzymatic activity

Enzyme Commision number

3.1.4.-
3.1.4.38: glycerophosphocholine cholinephosphodiesterase.

External links

PDB	RCSB:5egh, PDBe:5egh, PDBj:5egh
PDBsum	5egh
PubMed	26888014
UniProt	Q8BGN3\|ENPP6_MOUSE Glycerophosphocholine cholinephosphodiesterase ENPP6 (Gene Name=Enpp6)

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