Structure of PDB 8exr Chain B Binding Site BS01

Receptor Information
>8exr Chain B (length=295) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKLLIMSIVSFCFIFLLLLFFRYILKRYFNYMLNYKVWYLTLLAGLIPF
IPIKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYLKKQSLYLNENE
KNKIDTILFNHQYKKNIVIRKAETIQSPITFWYGKYIILIPSSYFKSVID
KRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVHIVKRKIIHDNE
VEADRFVLNNINKNEFKTYAESIMDSVLNVPFFNKNILSHSFNGKKSLLK
RRLINIKEANLKKQSKLILIFICIFTFLLMVIQSQFLMGQSITDY
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 chain8exr Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8exr Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		H201 H205 E242
Binding residue
(residue number reindexed from 1)		H159 H163 E200
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8exr, PDBe:8exr, PDBj:8exr
PDBsum8exr
PubMed36599987
UniProtP18357|BLAR_STAAU Regulatory protein BlaR1 (Gene Name=blaR1)

[Back to BioLiP]