Structure of PDB 2hkm Chain H Binding Site BS01

Receptor Information

>2hkm Chain H (length=120) Species: 511 (Alcaligenes faecalis)

SLNPDLANEDEVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPISWI
GTCHNPHDGKDYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDVNW
CMANENSTFHCTTSVLVGLA

Ligand information

• Ligand ID: PEA
• InChI: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
• InChIKey: BHHGXPLMPWCGHP-UHFFFAOYSA-O
• SMILES:
  CACTVS 3.341: [NH3+]CCc1ccccc1
  ACDLabs 10.04: c1ccccc1CC[NH3+]
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)CC[NH3+]
• Formula: C8 H12 N
• Name: 2-PHENYLETHYLAMINE
• PDB chain: 2hkm Chain H Residue 1401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hkm Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): D84 X109 D128 V158 N159 F169
• Binding residue (residue number reindexed from 1): D24 X49 D68 V98 N99 F109
• Annotation score: 1

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

External links

• PDB: RCSB:2hkm, PDBe:2hkm, PDBj:2hkm
• PDBsum: 2hkm
• UniProt: P84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)