Brand  (β version)

PDB ID: 4GLX

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Ligands
Code Name Style Show Link
0XS 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide PoSSuM
SO4 Sulfate ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4GLX   PDBj   RCSB PDB   PDBe
Header : LIGASE/LIGASE INHIBITOR/DNA
Title : DNA ligase A in complex with inhibitor
Release Data : 2012-10-10
Compound :
mol_id molecule chains
1 DNA (26-MER) B
mol_id molecule chains
2 DNA (5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*CP*C)-3') C
mol_id molecule chains
3 DNA (5'-D(P*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*G)-3') D
mol_id molecule chains synonym
4 DNA ligase A Polydeoxyribonucleotide synthase [NAD(+)]
ec: 6.5.1.2
Source :
mol_id organism_scientific organism_common
1 Synthetic construct  (taxid:32630) Synthetic construct
synthetic: yes
mol_id organism_scientific organism_common
2 Synthetic construct  (taxid:32630) Synthetic construct
synthetic: yes
mol_id organism_scientific organism_common
3 Synthetic construct  (taxid:32630) Synthetic construct
synthetic: yes
mol_id organism_scientific expression_system
4 Escherichia coli  (taxid:83333) Escherichia coli  (taxid:562)
strain: K12
gene: b2411, dnaL, JW2403, lig, ligA, lop, pdeC
Authors : Prade, L., Lange, R., Tidten-Luksch, N., Chambovey, A.
Keywords : DNA ligase A, inhibitor, LIGASE-LIGASE INHIBITOR-DNA complex
Exp. method : X-RAY DIFFRACTION ( 1.9000 Å )
Citation :

Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.

Surivet, J.P.,Lange, R.,Hubschwerlen, C.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 6705 - 6711

PubMed: 23006603
DOI: 10.1016/j.bmcl.2012.08.094

Reaction

Chain : A
UniProt : P15042 (DNLJ_ECOLI)
Reaction: EC: Evidence:
Physiological Direction:
NAD(+) + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho- (deoxyribonucleotide)m = (deoxyribonucleotide)n+m + AMP + beta- nicotinamide D-nucleotide. 6.5.1.2 PubMed:11781321
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Cofactor: Evidence: Note:
Mg(2+) ECO:0000269 | PubMed:11781321
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