Structure of PDB 1jgm Chain B Binding Site BS01

Receptor Information

>1jgm Chain B (length=332) Species: 293 (Brevundimonas diminuta)

GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKA
VRGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWFD
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQELV
LKAAARASLATGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDD
TDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASALLGIRSWQTRALL
IKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDRVNPDGMAFIPLRVI
PFLREKGVPQETLAGITVTNPARFLSPTLRAS

Ligand information

• Ligand ID: CD
• InChI: InChI=1S/Cd/q+2
• InChIKey: WLZRMCYVCSSEQC-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Cd++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cd+2]
• Formula: Cd
• Name: CADMIUM ION
• PDB chain: 1jgm Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1jgm High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
• Resolution: 1.3 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

• Catalytic site (original residue number in PDB): H55 H57 K169 H201 H230 D233 H254 D301
• Catalytic site (residue number reindexed from 1): H22 H24 K136 H168 H197 D200 H221 D268
• 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:1jgm, PDBe:1jgm, PDBj:1jgm
• PDBsum: 1jgm
• PubMed: 11258882
• UniProt: P0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)