Structure of PDB 2oiz Chain H Binding Site BS01

Receptor Information
>2oiz Chain H (length=122) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HISLNPDLANEDEVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPIS
WIGTCHNPHDGKDYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDV
NWCMANENSTFHCTTSVLVGLA
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 chain2oiz Chain H Residue 1701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2oiz New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		D84 X109 D128 N159 F169
Binding residue
(residue number reindexed from 1)		D26 X51 D70 N101 F111
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2oiz, PDBe:2oiz, PDBj:2oiz
PDBsum2oiz
PubMed17475620
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

[Back to BioLiP]