Structure of PDB 6b2f Chain A Binding Site BS01

Receptor Information

>6b2f Chain A (length=318) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKA
VRGLRRARAAGVRTIVDVSTFDLGRDVSLLAEVSRAADVHIVAATGLWLD
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKVTPFQELV
LRAAARASLATGVPVTTHTAASQRGGEQQAAILESEGLSPSRVCIGHSDA
TDDLSYLTALAARGYLIGLDSIPHSAIIRSWQTRALLIKALIDQGYTKQI
LVSNDWLFGISSYVTNIMDVMDSGNPDGMAFIPLRVIPFLREKGIPQETL
AGITVTNPARFLSPTLRA

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

6b2f Chain A Residue 2401 [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	6b2f Phosphotriesterase variant S5 + TS analogue
Resolution	1.775 Å
Binding residue (original residue number in PDB)	H55 H57 K169 D301
Binding residue (residue number reindexed from 1)	H22 H24 K136 D255
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H55 H57 K169 H201 H230 A233 S254 D301
Catalytic site (residue number reindexed from 1)	H22 H24 K136 H168 H197 A200 S221 D255
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:6b2f, PDBe:6b2f, PDBj:6b2f
PDBsum	6b2f
PubMed
UniProt	A0A060GYS1

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