Structure of PDB 2ojy Chain D Binding Site BS01

Receptor Information
>2ojy 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 IDTSR
InChIInChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
InChIKeyZOAMBXDOGPRZLP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)N
CACTVS 3.341NC(=O)Cc1c[nH]c2ccccc12
ACDLabs 10.04O=C(N)Cc2c1ccccc1nc2
FormulaC10 H10 N2 O
Name2-(1H-INDOL-3-YL)ACETAMIDE
ChEMBL
DrugBankDB08652
ZINCZINC000000409269
PDB chain2ojy Chain D Residue 292 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ojy New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D84 X109 D128 N159 F169 T172
Binding residue
(residue number reindexed from 1)		D14 X39 D58 N89 F99 T102
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S108 T133 F152
Catalytic site (residue number reindexed from 1) S38 T63 F82
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:2ojy, PDBe:2ojy, PDBj:2ojy
PDBsum2ojy
PubMed17475620
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

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