Structure of PDB 8p7h Chain A Binding Site BS03

Receptor Information

>8p7h Chain A (length=328) Species: 293 (Brevundimonas diminuta)

GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKA
VRGLRRARAAGVRTIVDVSTFDAGRDVSLLAEVSRAADVHIVAATGLWED
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATQGKATPFQELV
LRAAARASLATGVPVTTHTFASQRDGEQQAAIFESEGLSPSRVCIGHSDD
TDDLSYLTALAARGYLIGLDGIPHSAIGLDNASASALLGNRSWQTRALLI
KALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVIP
FLREKGVPQETLAGITVTNPARFLSPTL

Ligand information

• Ligand ID: X3B
• InChI: InChI=1S/C5H8O4/c1-4-8-3-2-5(6,7)9-4/h6-7H,1-3H2
• InChIKey: IMDAPZFNKPSNIF-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C=C1OCCC(O1)(O)O
  CACTVS 3.385: OC1(O)CCOC(=C)O1
• Formula: C5 H8 O4
• Name: 2-methylidene-1,3-dioxane-4,4-diol
• PDB chain: 8p7h Chain A Residue 408

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8p7h The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
• Resolution: 1.774 Å
• Binding residue (original residue number in PDB): H57 W131 H201 H230 D301
• Binding residue (residue number reindexed from 1): H24 W98 H168 H197 D267
• 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:8p7h, PDBe:8p7h, PDBj:8p7h
• PDBsum: 8p7h
• PubMed: 37860961
• UniProt: P0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)