Structure of PDB 2zcf Chain A Binding Site BS01

Receptor Information

>2zcf Chain A (length=198) Species: 1833 (Rhodococcus erythropolis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TENAAPAQAPVSDRAWALFRALDGKGLVPDGYVEGWKKTFEEDFSPRRGA
ELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPNGEYIVAVEDTPTLKNVI
VCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGTEIASDIEI
RVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVAIPQVPT

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

2zcf Chain A Residue 206 [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	2zcf Mutational study on alphaGln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771
Resolution	1.43 Å
Binding residue (original residue number in PDB)	C109 A112 S113 C114
Binding residue (residue number reindexed from 1)	C102 A105 S106 C107
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C109 C112 S113 C114
Catalytic site (residue number reindexed from 1)	C102 C105 S106 C107
Enzyme Commision number	4.2.1.84: nitrile hydratase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0016829	lyase activity
GO:0018822	nitrile hydratase activity
GO:0046872	metal ion binding
GO:0046914	transition metal ion binding
GO:0080109	indole-3-acetonitrile nitrile hydratase activity

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Molecular Function

External links

PDB	RCSB:2zcf, PDBe:2zcf, PDBj:2zcf
PDBsum	2zcf
PubMed	16636455
UniProt	P13448\|NHAA_RHOER Nitrile hydratase subunit alpha (Gene Name=nthA)

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