Structure of PDB 1b6g Chain A Binding Site BS02

Receptor Information
>1b6g Chain A (length=310) Species: 280 (Xanthobacter autotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVNAIRTPDQRFSNLDQYPFSPNYLDDLPGYPGLRAHYLDEGNSDAEDVF
LCLHGEPTWSYLYRKMIPVFAESGARVIAPDFFGFGKSDKPVDEEDYTFE
FHRNFLLALIERLDLRNITLVVQDWGGFLGLTLPMADPSRFKRLIIMNAC
LMTDPVTQPAFSAFVTQPADGFTAWKYDLVTPSDLRLDQFMKRWAPTLTE
AEASAYAAPFPDTSYQAGVRKFPKMVAQRDQACIDISTEAISFWQNDWNG
QTFMAIGMKDKLLGPDVMYPMKALINGCPEPLEIADAGHFVQEFGEQVAR
EALKHFAETE
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain1b6g Chain A Residue 1998 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b6g Haloalkane dehalogenase from Xanthobacter autotrophicus GJ10 refined at 1.15 A resolution.
Resolution1.15 Å
Binding residue
(original residue number in PDB)		E56 W125 P223
Binding residue
(residue number reindexed from 1)		E56 W125 P223
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E56 D124 W125 N148 W175 D260 H289
Catalytic site (residue number reindexed from 1) E56 D124 W125 N148 W175 D260 H289
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
Biological Process
GO:0009636 response to toxic substance
GO:0019260 1,2-dichloroethane catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1b6g, PDBe:1b6g, PDBj:1b6g
PDBsum1b6g
PubMed10393294
UniProtP22643|DHLA_XANAU Haloalkane dehalogenase (Gene Name=dhlA)

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