Structure of PDB 2i0t Chain H Binding Site BS01

Receptor Information
>2i0t 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 IDPEL
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWRMNZCZEMHIOCP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCO
ACDLabs 10.04
CACTVS 3.341		OCCc1ccccc1
FormulaC8 H10 O
Name2-PHENYL-ETHANOL
ChEMBLCHEMBL448500
DrugBankDB02192
ZINCZINC000000895934
PDB chain2i0t Chain H Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2i0t New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		D84 X109 D128 V158 N159 F169
Binding residue
(residue number reindexed from 1)		D26 X51 D70 V100 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2i0t, PDBe:2i0t, PDBj:2i0t
PDBsum2i0t
PubMed17475620
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

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