Structure of PDB 5kef Chain B Binding Site BS01

Receptor Information
>5kef Chain B (length=152) Species: 1193576 (Staphylococcus aureus subsp. aureus CN1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVFYMTALFPYIAFENSKEALAYYEEVFGATDVKRLEVGEEQASHFGMTK
EEAQEATMHAEFEVLGVKVLCSDSFGRADKINNGISLLIDYDVNNKEDAD
KVEAFYEQIKDHSSIEIELPFADQFWGGKMGVFTDKYGVRWMLHGQDYTA
IQ
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 chain5kef Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kef Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
Resolution2.23 Å
Binding residue
(original residue number in PDB)
H58 E60
Binding residue
(residue number reindexed from 1)
H59 E61
Annotation score4
External links