Structure of PDB 1b6g Chain A Binding Site BS04

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 IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1b6g Chain A Residue 1203 [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)		W194 P196 K261
Binding residue
(residue number reindexed from 1)		W194 P196 K261
Annotation score1
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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