Structure of PDB 5z9f Chain B Binding Site BS02

Receptor Information
>5z9f Chain B (length=187) 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
YEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEG
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 B 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 E50 I78 V120 V167
Binding residue
(residue number reindexed from 1)		V28 N31 E35 I63 V87 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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