Structure of PDB 5z9f Chain A Binding Site BS02
Receptor Information
>5z9f Chain A (length=185) Species:
83333
(Escherichia coli K-12) [
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LDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHA
DNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLGVGVSVVNALSQKLELV
IQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFE
YEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHY
Ligand information
Ligand ID
AX7
InChI
InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Nc1[nH]c2ccccc2n1
ACDLabs 10.04
n2c1ccccc1nc2N
OpenEye OEToolkits 1.5.0
c1ccc2c(c1)[nH]c(n2)N
Formula
C7 H7 N3
Name
1H-benzimidazol-2-amine
ChEMBL
CHEMBL305513
DrugBank
ZINC
ZINC000016889973
PDB chain
5z9f Chain A Residue 304 [
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Receptor-Ligand Complex Structure
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PDB
5z9f
Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Resolution
1.76 Å
Binding residue
(original residue number in PDB)
H147 E174
Binding residue
(residue number reindexed from 1)
H114 E141
Annotation score
1
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
PDBsum
5z9f
PubMed
30429968
UniProt
P0AES6
|GYRB_ECOLI DNA gyrase subunit B (Gene Name=gyrB)
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