Structure of PDB 7duc Chain B Binding Site BS01

Receptor Information
>7duc Chain B (length=110) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRRLDSVITHMSDGIIATDRRGRIRIVNDMALKMLGMAKEDIIGYYMLSV
LSLEDEFKLEEIQENNDSFLLDLNEEEGLIARVNFSTIVQETGFVTGYIA
VLHDVTEQQV
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 chain7duc Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7duc Crystal Structure of cyto WalK
Resolution2.56 Å
Binding residue
(original residue number in PDB)		H271 D274 H364 E368
Binding residue
(residue number reindexed from 1)		H10 D13 H103 E107
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links
PDB RCSB:7duc, PDBe:7duc, PDBj:7duc
PDBsum7duc
PubMed
UniProtQ2G2U4|WALK_STAA8 Sensor protein kinase WalK (Gene Name=walK)

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