Brand  (β version)

PDB ID: 5MMO

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Ligands
Code Name Style Show Link
9JG Prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5MMO   PDBj   RCSB PDB   PDBe
Header : ISOMERASE
Title : E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester
Release Data : 2017-04-26
Compound :
mol_id molecule chains
1 DNA gyrase subunit B A
ec: 5.99.1.3
Source :
mol_id organism_scientific expression_system
1 Escherichia coli O157:H7  (taxid:83334) Escherichia coli  (taxid:562)
gene: gyrB, Z5190, ECs4634
Authors : Panchaud, P., Bruyere, T., Blumstein, A.-C., Bur, D., Chambovey, A., Ertel, E.A., Gude, M., Hubschwerlen, C., Jacob, L., Kimmerlin, T., Pfeifer, T., Prade, L., Seiler, P., Ritz, D., Rueedi, G.
Keywords : Inhibitor, 009, isomerase
Exp. method : X-RAY DIFFRACTION ( 1.81 Å )
Citation :

Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.

Panchaud, P.,Bruyere, T.,Blumstein, A.C.  et al.
(2017)  J. Med. Chem.  60 : 3755 - 3775

PubMed: 28406299
DOI: 10.1021/acs.jmedchem.6b01834

Reaction

Chain : A
UniProt : P0AES7 (GYRB_ECO57)
Reaction: EC: Evidence:
Physiological Direction:
ATP-dependent breakage, passage and rejoining of double- stranded DNA. 5.6.2.2 HAMAP- Rule:MF_01898
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