Structure of PDB 5u7c Chain A Binding Site BS01

Receptor Information
>5u7c Chain A (length=208) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLAPYILELLTSVNRTNGTADLLVPLLRELAKGRPVSRTTLAGILDWPA
ERVAAVLEQATSTEYDKDGNIIGYGLTLRETSYVFEIDDRRLYAWCALDT
LIFPALIGRTARVSSHCAATGAPVSLTVSPSEIQAVEPAGMAVSLVLPQE
AADVRQSFCCHVHFFASVPTAEDWASKHQGLEGLAIVSVHEAFGLGQEFN
RHLLQTMS
Ligand information
Ligand IDZN7
InChIInChI=1S/2C2H5.2BrH.Pb/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2
InChIKeyNLGLCLGKFLUNCK-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.385CC[Pb](Br)(Br)CC
OpenEye OEToolkits 1.7.6CC[Pb](CC)(Br)Br
FormulaC4 H10 Br2 Pb
NameDIETHYLLEAD DIBROMIDE
ChEMBL
DrugBank
ZINC
PDB chain5u7c Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u7c 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.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		C96 D99 F158 C159
Binding residue
(residue number reindexed from 1)		C96 D99 F158 C159
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5u7c, PDBe:5u7c, PDBj:5u7c
PDBsum5u7c
PubMed27989130
UniProtP77072|MERB_ECOLX Alkylmercury lyase (Gene Name=merB)

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