Structure of PDB 2iuq Chain H Binding Site BS01

Receptor Information
>2iuq Chain H (length=119) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNPDLANEDEVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPISWI
GTCHNPHDGKDYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDVNW
CMANENSTFHCTTSVLVGL
Ligand information
Ligand IDTSS
InChIInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKeyAPJYDQYYACXCRM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCN
ACDLabs 10.04c1cccc2c1c(cn2)CCN
FormulaC10 H12 N2
Name2-(1H-INDOL-3-YL)ETHANAMINE;
TRYPTAMINE
ChEMBLCHEMBL6640
DrugBankDB08653
ZINCZINC000000120144
PDB chain2iuq Chain A Residue 1433 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iuq Atomic Level Insight Into the Oxidative Half-Reaction of Aromatic Amine Dehydrogenase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D84 X109 N156 D157 V158
Binding residue
(residue number reindexed from 1)		D24 X49 N96 D97 V98
Annotation score1
Enzymatic activity
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:2iuq, PDBe:2iuq, PDBj:2iuq
PDBsum2iuq
PubMed17005560
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

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