Structure of PDB 8p7m Chain A Binding Site BS02

Receptor Information

>8p7m Chain A (length=328) Species: 293 (Brevundimonas diminuta)

GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKA
VRGLRRARAAGVRTIVDVSTFDAGRDVSLLAEVSRAADVHIVAATGLWED
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATQGKATPFQELV
LRAAARASLATGVPVTTHTFASQRDGEQQAAIFESEGLSPSRVCIGHSDD
TDDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALL
IKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVI
PFLREKGVPQETLAGITVTNPARFLSPT

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 8p7m Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8p7m The impact of molecular variants, crystallization conditions and the space group on ligand–protein complexes: a case study on bacterial phosphotriesterase
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): H201 H230
• Binding residue (residue number reindexed from 1): H168 H197
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.8.1: aryldialkylphosphatase.

Gene Ontology

Molecular Function

• GO:0004063 aryldialkylphosphatase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0009056 catabolic process

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:8p7m, PDBe:8p7m, PDBj:8p7m
• PDBsum: 8p7m
• PubMed: 37860961
• UniProt: P0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)