Structure of PDB 8wtc Chain D Binding Site BS01

Receptor Information
>8wtc Chain D (length=99) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QISACPKCGMTFQQFRKIGRFGCSECYKTFHSNITPILRKVHSGNTVHAG
KIPKRIGGNLHVRRQIDMLKKELESLIHQEEFENAAHVRDQIRLLEQSL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8wtc Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wtc Structural insights into the regulation of protein-arginine kinase McsB by McsA.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C81 K83 C84 C99
Binding residue
(residue number reindexed from 1)		C5 K7 C8 C23
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0008270 zinc ion binding
GO:0046870 cadmium ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0006508 proteolysis
GO:1990169 stress response to copper ion
GO:1990170 stress response to cadmium ion

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8wtc, PDBe:8wtc, PDBj:8wtc
PDBsum8wtc
PubMed38625935
UniProtP37569|MCSA_BACSU Protein-arginine kinase activator protein (Gene Name=mcsA)

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