Structure of PDB 8p7u Chain A Binding Site BS04

Receptor Information

>8p7u Chain A (length=330) Species: 293 (Brevundimonas diminuta)

DRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKAV
RGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWEDP
PLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATNGKATPFQELVL
RAAARASLATGVPVTTHTLASQRDGEQQAAIFESEGLSPSRVCIGHSDDT
DDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALLI
KALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVIP
FLREKGVSNETLAGITVTNPARFLSPTLRA

Ligand information

• Ligand ID: E8N
• InChI: InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3
• InChIKey: YPJRYQGOKHKNKZ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: CCC1(C)CCCCC1
  OpenEye OEToolkits 2.0.6: CCC1(CCCCC1)C
• Formula: C9 H18
• Name: 1-ethyl-1-methyl-cyclohexane
• ZINC: ZINC000001699426
• PDB chain: 8p7u Chain A Residue 407

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8p7u The impact of molecular variants, crystallization conditions and the space group on ligand–protein complexes: a case study on bacterial phosphotriesterase
• Resolution: 1.38 Å
• Binding residue (original residue number in PDB): V341 S342 T345
• Binding residue (residue number reindexed from 1): V307 S308 T311
• 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:8p7u, PDBe:8p7u, PDBj:8p7u
• PDBsum: 8p7u
• PubMed: 37860961
• UniProt: P0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)