Structure of PDB 3cs2 Chain P Binding Site BS02

Receptor Information

>3cs2 Chain P (length=330) Species: 293 (Brevundimonas diminuta)

GDRINTVRGPITISEAGFTLTHEHICASSAGFLRAWPEFFGSRKALAEKA
VRGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWFD
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQELV
LKAAARASLATGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDD
TDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASALLGIRSWQTRALL
IKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDRVNPDGMAFIPLRVI
PFLREKGVPQETLAGITVTNPARFLSPTLR

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 3cs2 Chain P Residue 7

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3cs2 Structure of diethyl phosphate bound to the binuclear metal center of phosphotriesterase.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): H55 H57 K169 D301
• Binding residue (residue number reindexed from 1): H22 H24 K136 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:3cs2, PDBe:3cs2, PDBj:3cs2
• PDBsum: 3cs2
• PubMed: 18702530
• UniProt: P0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)