Structure of PDB 2cz6 Chain B Binding Site BS01

Receptor Information

>2cz6 Chain B (length=212) Species: 1833 (Rhodococcus erythropolis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MDGVHDLAGVQGFGKVPHTVNADIGPTFHAEWEHLPYSLMFAGVAELGAF
SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG
GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV
GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV
VDLFEGYLEPAA

Ligand information

Ligand ID

CYI

InChI

InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2

InChIKey

XYZMOVWWVXBHDP-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	[C-]#[N+]C1CCCCC1
ACDLabs 10.04	isocyanocyclohexane

Formula

C7 H11 N

Name

CYCLOHEXYL ISOCYANIDE

PDB chain

2cz6 Chain B Residue 1302 [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	2cz6 x-ray snap shots of inhibitor binding process in photo-reactive nitrile hydratase
Resolution	1.5 Å
Binding residue (original residue number in PDB)	Y37 M40 V52 R56 Y76
Binding residue (residue number reindexed from 1)	Y37 M40 V52 R56 Y76
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	R56 Y72 Y76
Catalytic site (residue number reindexed from 1)	R56 Y72 Y76
Enzyme Commision number	4.2.1.84: nitrile hydratase.

Gene Ontology

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

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Molecular Function

External links

PDB	RCSB:2cz6, PDBe:2cz6, PDBj:2cz6
PDBsum	2cz6
PubMed
UniProt	P13449\|NHAB_RHOER Nitrile hydratase subunit beta (Gene Name=nthB)

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