Structure of PDB 2ok4 Chain D Binding Site BS01

Receptor Information
>2ok4 Chain D (length=110) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPISWIGTCHNPHDGK
DYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDVNWCMANENSTFH
CTTSVLVGLA
Ligand information
Ligand IDHY1
InChIInChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyDTUQWGWMVIHBKE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=CCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC=O
FormulaC8 H8 O
NamePHENYLACETALDEHYDE
ChEMBLCHEMBL1233464
DrugBankDB02178
ZINCZINC000000895323
PDB chain2ok4 Chain D Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ok4 New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D84 X109 D128 V158 N159 F169
Binding residue
(residue number reindexed from 1)		D14 X39 D58 V88 N89 F99
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W109 A134 F153
Catalytic site (residue number reindexed from 1) W39 A64 F83
Enzyme Commision number 1.4.9.2: aralkylamine dehydrogenase (azurin).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016638 oxidoreductase activity, acting on the CH-NH2 group of donors
GO:0030059 aralkylamine dehydrogenase (azurin) activity
Biological Process
GO:0009308 amine metabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ok4, PDBe:2ok4, PDBj:2ok4
PDBsum2ok4
PubMed17475620
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

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