Structure of PDB 8exq Chain B Binding Site BS01

Receptor Information
>8exq Chain B (length=554) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKLLIMSIVSFCFIFLLLLFFRYILKRYFNYMLNYKVWYLTLLAGLIPF
IPIKFIQEFATDIHKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYL
KKQSLYLNENEKNKIDTILFNHQYKKNIVIRKAETIQSPITFWYGKYIIL
IPSSYFKSVIDKRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVH
IVKRKIIHDNEVEADRFVLNNINKNEFKTYAESIMDSVLNVPFFNKNILS
HSFNGKKSLLKRRLINIKEANLKKQSKLILIFICIFTFLLMVIQSQFLMG
QSITDYNYKKPLHNDYQILDKSKIFGSNSGSFVMYSMKKDKYYIYNEKES
RKRYSPNSTYKIYLAMFGLDRHIINDENSRMSWNHKHYPFDAWNKEQDLN
TAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNLGSYKSYWMEDSLK
ISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGI
VNGKYNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGV
LNGQ
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 chain8exq Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8exq Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Resolution4.9 Å
Binding residue
(original residue number in PDB)		H201 H205 E242
Binding residue
(residue number reindexed from 1)		H170 H174 E211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
Biological Process
GO:0071555 cell wall organization
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8exq, PDBe:8exq, PDBj:8exq
PDBsum8exq
PubMed36599987
UniProtP18357|BLAR_STAAU Regulatory protein BlaR1 (Gene Name=blaR1)

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