Structure of PDB 5u88 Chain B Binding Site BS01

Receptor Information

>5u88 Chain B (length=208) Species: 562 (Escherichia coli)

MKLAPYILELLTSVNRTNGTADLLVPLLRELAKGRPVSRTTLAGILDWPA
ERVAAVLEQATSTEYDKDGNIIGYGLTLRETSYVFEIDDRRLYAWCALDT
LIFPALIGRTARVSSHCAATGAPVSLTVSPSEIQAVEPAGMAVSLVLPQE
AADVRQSFCCHVHFFASVPTAEDWASKHQGLEGLAIVSVHEAFGLGQEFN
RHLLQTMS

Ligand information

• Ligand ID: ZN9
• InChI: InChI=1S/3CH3.BrH.Pb/h3*1H3;1H;/q;;;;+1/p-1
• InChIKey: WJDCKJMILIJQRF-UHFFFAOYSA-M
• SMILES:
  CACTVS 3.385
  OpenEye OEToolkits 1.7.6: C[Pb](C)(C)Br
• Formula: C3 H9 Br Pb
• Name: Trimethyllead bromide
• PDB chain: 5u88 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u88 Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
• Resolution: 1.801 Å
• Binding residue (original residue number in PDB): D99 F158
• Binding residue (residue number reindexed from 1): D99 F158
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C96 D99 C159
• Catalytic site (residue number reindexed from 1): C96 D99 C159
• Enzyme Commision number: 4.99.1.2: alkylmercury lyase.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0018836 alkylmercury lyase activity

Biological Process

• GO:0046689 response to mercury ion

External links

• PDB: RCSB:5u88, PDBe:5u88, PDBj:5u88
• PDBsum: 5u88
• PubMed: 27989130
• UniProt: P77072|MERB_ECOLX Alkylmercury lyase (Gene Name=merB)