Structure of PDB 7dor Chain B Binding Site BS02

Receptor Information

>7dor Chain B (length=188) 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
YEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGG

Ligand information

Ligand ID

NPO

InChI

InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

InChIKey

BTJIUGUIPKRLHP-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04	O=[N+]([O-])c1ccc(O)cc1
OpenEye OEToolkits 1.5.0	c1cc(ccc1[N+](=O)[O-])O

Formula

C6 H5 N O3

Name

P-NITROPHENOL

PDB chain

7dor Chain B 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	7dor Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Resolution	1.89 Å
Binding residue (original residue number in PDB)	V43 N46 A47 Q72 D73 V120 T165 V167
Binding residue (residue number reindexed from 1)	V28 N31 A32 Q57 D58 V87 T132 V134
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:7dor, PDBe:7dor, PDBj:7dor
PDBsum	7dor
PubMed	34098257
UniProt	P0AES6\|GYRB_ECOLI DNA gyrase subunit B (Gene Name=gyrB)

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