Structure of PDB 5crl Chain B Binding Site BS01

Receptor Information
>5crl Chain B (length=119) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLTIGVFAKAAGVNVETIRFYQRKGLLLRRYGEADVTRVRFVKSAQRLGF
SLDEIAELLRLEDGTHCEEASSLAEHKLKDVREKMADLARMEAVLSELVC
ACHARRGNVSCPLIASLQG
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 chain5crl Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5crl Structural Analysis of the Hg(II)-Regulatory Protein Tn501 MerR from Pseudomonas aeruginosa.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C117 C126
Binding residue
(residue number reindexed from 1)		C102 C111
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0045340 mercury ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0046689 response to mercury ion

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Molecular Function
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Biological Process
External links
PDB RCSB:5crl, PDBe:5crl, PDBj:5crl
PDBsum5crl
PubMed27641146
UniProtP0A183|MERR_PSEAI Mercuric resistance operon regulatory protein (Gene Name=merR)

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