Structure of PDB 5c17 Chain A Binding Site BS01

Receptor Information
>5c17 Chain A (length=206) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTELKKFYELLLAKLPKESVPILRTIFFSIRDGQAVTESSLINQTGINTK
TVQSVVKILAQRQMIVREADQKIVGALGLSIIPTTNQIHLGGRTLFAWCA
ISTLELSTALVADVDIHSRCAYTGEPIEVTVRNGKLAKTTPDSTVIWTVP
FDSEAPWAGGTCKQIHYFSSVEHANKWKEEHPKLQGEIMTLEQALSFGNE
LKKFLS
Ligand information
Ligand IDHG
InChIInChI=1S/Hg/q+2
InChIKeyBQPIGGFYSBELGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Hg++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Hg+2]
FormulaHg
NameMERCURY (II) ION
ChEMBL
DrugBank
ZINC
PDB chain5c17 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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PDB5c17 Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Resolution1.24 Å
Binding residue
(original residue number in PDB)		C102 C165
Binding residue
(residue number reindexed from 1)		C99 C162
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C102 S105 C165
Catalytic site (residue number reindexed from 1) C99 S102 C162
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0018836 alkylmercury lyase activity

View graph for
Molecular Function
External links
PDB RCSB:5c17, PDBe:5c17, PDBj:5c17
PDBsum5c17
PubMed26820485
UniProtQ7DJN2

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