Structure of PDB 5z9f Chain A Binding Site BS01

Receptor Information
>5z9f Chain A (length=185) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHA
DNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLGVGVSVVNALSQKLELV
IQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFE
YEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHY
Ligand information
Ligand ID0R0
InChIInChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKeyCHZCERSEMVWNHL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Oc1ccccc1C#N
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C#N)O
ACDLabs 12.01N#Cc1ccccc1O
FormulaC7 H5 N O
Name2-hydroxybenzonitrile;
2-Cyanophenol
ChEMBLCHEMBL195342
DrugBank
ZINCZINC000000388252
PDB chain5z9f Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5z9f Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Resolution1.76 Å
Binding residue
(original residue number in PDB)		V43 N46 I78 V167
Binding residue
(residue number reindexed from 1)		V28 N31 I63 V134
Annotation score1
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:5z9f, PDBe:5z9f, PDBj:5z9f
PDBsum5z9f
PubMed30429968
UniProtP0AES6|GYRB_ECOLI DNA gyrase subunit B (Gene Name=gyrB)

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