Structure of PDB 8bn6 Chain A Binding Site BS01

Receptor Information
>8bn6 Chain A (length=206) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNSIDEALAGYCSEISI
TIHTDESITVRDNGRGIPVDIHKEEGVSAAEVIMTVLHAGGKFDDNTYKV
SGGLHGVGVSVVNALSHELRLTIRRHNKVWEQVYHHGVPQFPLREVGETD
GSGTEVHFKPSPETFSNIHFSWDILAKRIRELSFLNSGVGILLRDERTGK
EELFKY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8bn6 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bn6 New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
Resolution1.6 Å
Binding residue
(original residue number in PDB)		N76 G77 S165
Binding residue
(residue number reindexed from 1)		N63 G64 S152
Annotation score4
Enzymatic activity
Enzyme Commision number 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003918 DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
GO:0005524 ATP binding
Biological Process
GO:0006265 DNA topological change

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Molecular Function
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Biological Process
External links
PDB RCSB:8bn6, PDBe:8bn6, PDBj:8bn6
PDBsum8bn6
PubMed36877255
UniProtQ9I7C2|GYRB_PSEAE DNA gyrase subunit B (Gene Name=gyrB)

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