Structure of PDB 2hkr Chain H Binding Site BS01

Receptor Information
>2hkr 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 IDZHZ
InChIInChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyOLKQIWCQICCYQS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1)CC(=O)N
ACDLabs 10.04O=C(N)Cc1ccc(OC)cc1
CACTVS 3.341COc1ccc(CC(N)=O)cc1
FormulaC9 H11 N O2
Name2-(4-METHOXYPHENYL)ACETAMIDE
ChEMBLCHEMBL157604
DrugBankDB08767
ZINCZINC000000156551
PDB chain2hkr Chain H Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hkr Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
Resolution1.4 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:2hkr, PDBe:2hkr, PDBj:2hkr
PDBsum2hkr
PubMed
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

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