Structure of PDB 5vej Chain A Binding Site BS01

Receptor Information

>5vej Chain A (length=328) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GDLINTVRGPIPVSEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKA
VRGLRHARSAGVQTIVDVSTFDIGRDVRLLAEVSRAADVHIVAATGLWFD
PPLSMRMRSVEELTQFFLREIQHGIEDTGIRAGIIKVATTGKATPFQELV
LKAAARASLATGVPVTTHTSASQRDGEQQAAIFESEGLSPSRVCIGHSDD
TDDLSYLTGLAARGYLVGLDRMPYSAIGLEGNASALALFGTRSWQTRALL
IKALIDRGYKDRILVSHDWLFGFSSYVTNIMDVMDRINPDGMAFVPLRVI
PFLREKGVPPETLAGVTVANPARFLSPT

Ligand information

Ligand ID

InChI

InChI=1S/Co/q+2

InChIKey

XLJKHNWPARRRJB-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Co+2]
CACTVS 3.341	[Co++]

Formula

Name

COBALT (II) ION

PDB chain

5vej Chain A Residue 403 [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	5vej High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase.
Resolution	1.301 Å
Binding residue (original residue number in PDB)	K169 H201 H230
Binding residue (residue number reindexed from 1)	K136 H168 H197
Annotation score	3

Enzymatic activity

Catalytic site (original residue number in PDB)	H55 H57 K169 H201 H230 D233 R254 D301
Catalytic site (residue number reindexed from 1)	H22 H24 K136 H168 H197 D200 R221 D268
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0008270	zinc ion binding
GO:0016788	hydrolase activity, acting on ester bonds
GO:0046872	metal ion binding

	Biological Process
GO:0009056	catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:5vej, PDBe:5vej, PDBj:5vej
PDBsum	5vej
PubMed	28673485
UniProt	Q93LD7

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