Structure of PDB 6y8n Chain A Binding Site BS02

Receptor Information
>6y8n Chain A (length=183) Species: 1797 (Mycolicibacterium thermoresistibile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEGLEAVRKRPGMYIGSTGERGLHHLIWEVVDNAVDEAMAGHATKVRVRL
LADGGVEVSDDGRGIPVEMHESGVPTVDVVMTQVGVSVVNALSTRMEVEI
CRDGYQWFQTYDKSVPGTLKQGEKTRKTGTVVRFWPDPDVFETTTFDFET
VARRLQEQAFLNKGLTIELIDERDGKHRTFYYP
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 chain6y8n Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6y8n Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D51 D55
Binding residue
(residue number reindexed from 1)		D32 D36
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:6y8n, PDBe:6y8n, PDBj:6y8n
PDBsum6y8n
PubMed32728686
UniProtG7CIP8

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