Structure of PDB 8p7m Chain A Binding Site BS03

Receptor Information

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

GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKA
VRGLRRARAAGVRTIVDVSTFDAGRDVSLLAEVSRAADVHIVAATGLWED
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATQGKATPFQELV
LRAAARASLATGVPVTTHTFASQRDGEQQAAIFESEGLSPSRVCIGHSDD
TDDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALL
IKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVI
PFLREKGVPQETLAGITVTNPARFLSPT

Ligand information

• Ligand ID: GB
• InChI: InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
• InChIKey: YACKEPLHDIMKIO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: C[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: CP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)C
• Formula: C H5 O3 P
• Name: METHYLPHOSPHONIC ACID ESTER GROUP
• ChEMBL: CHEMBL122938
• ZINC: ZINC000084544184
• PDB chain: 8p7m Chain A Residue 407

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): W131 H201 D301
• Binding residue (residue number reindexed from 1): W98 H168 D268
• 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)