Structure of PDB 2hjb Chain H Binding Site BS01

Receptor Information

>2hjb Chain H (length=122) Species: 511 (Alcaligenes faecalis)

HISLNPDLANEDEVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPIS
WIGTCHNPHDGKDYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDV
NWCMANENSTFHCTTSVLVGLA

Ligand information

• Ligand ID: PZM
• InChI: InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
• InChIKey: IDPURXSQCKYKIJ-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: COc1ccc(cc1)CN
  ACDLabs 10.04: O(c1ccc(cc1)CN)C
  CACTVS 3.341: COc1ccc(CN)cc1
• Formula: C8 H11 N O
• Name: 1-(4-METHOXYPHENYL)METHANAMINE;
  P-METHOXYBENZYLAMINE
• ChEMBL: CHEMBL12720
• ZINC: ZINC000000157596
• PDB chain: 2hjb Chain A Residue 1101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hjb Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): D84 X109 V158 N159
• Binding residue (residue number reindexed from 1): D26 X51 V100 N101
• 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:2hjb, PDBe:2hjb, PDBj:2hjb
• PDBsum: 2hjb
• PubMed: 17636875
• UniProt: P84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)