Structure of PDB 5z9m Chain A Binding Site BS01

Receptor Information

>5z9m Chain A (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 ID

BZ2

InChI

InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

InChIKey

OFFSPAZVIVZPHU-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.352	OC(=O)c1oc2ccccc2c1
ACDLabs 11.02	O=C(O)c2oc1ccccc1c2
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)cc(o2)C(=O)O

Formula

C9 H6 O3

Name

1-benzofuran-2-carboxylic acid

PDB chain

5z9m 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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Structure summary

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PDB	5z9m Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Resolution	2.74 Å
Binding residue (original residue number in PDB)	E50 R76 P79 R136
Binding residue (residue number reindexed from 1)	E35 R61 P64 R103
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:5z9m, PDBe:5z9m, PDBj:5z9m
PDBsum	5z9m
PubMed	30429968
UniProt	P0AES6\|GYRB_ECOLI DNA gyrase subunit B (Gene Name=gyrB)

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