Structure of PDB 1cqw Chain A Binding Site BS01

Receptor Information

>1cqw Chain A (length=295) Species: 1831 (Rhodococcus sp. (in: high G+C Gram-positive bacteria)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIP
HVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLV
IHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFR
TADVGRELIIDQNAFIEGVLPKCVVRPLTEVEMDHYREPFLKPVDREPLW
RFPNEIPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAA
RLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPGLASGLG

Ligand information

InChI=1S/HI/h1H/p-1

XMBWDFGMSWQBCA-UHFFFAOYSA-M

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[I-]

Formula

Name

IODIDE ION

PDB chain

1cqw Chain A Residue 321 [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	1cqw Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Resolution	1.5 Å
Binding residue (original residue number in PDB)	W118 F216 P217 I220
Binding residue (residue number reindexed from 1)	W104 F202 P203 I206
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	N52 D117 W118 E141 W152 T159 P217 G255 H283
Catalytic site (residue number reindexed from 1)	N38 D103 W104 E127 W138 T145 P203 G241 H269
Enzyme Commision number	3.8.1.5: haloalkane dehalogenase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0016787	hydrolase activity
GO:0018786	haloalkane dehalogenase activity

View graph for
Molecular Function

External links

PDB	RCSB:1cqw, PDBe:1cqw, PDBj:1cqw
PDBsum	1cqw
PubMed	10587433
UniProt	P59336\|DHAA_RHOSD Haloalkane dehalogenase (Gene Name=dhaA)

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