Brand  (β version)

PDB ID: 4UFZ

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
IA7 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-D]pyrimidine-6-carbonitrile PoSSuM
IWH 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4UFZ   PDBj   RCSB PDB   PDBe
Header : LIGASE
Title : Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
Release Data : 2015-10-28
Compound :
mol_id molecule chains synonym
1 DNA LIGASE A POLYDEOXYRIBONUCLEOTIDE SYNTHASE NAD(+), NAD DEPENDENT DNA LIGASE
ec: 6.5.1.2
fragment: ADENYLATION DOMAIN, RESIDUES 1-324
Source :
mol_id organism_scientific expression_system
1 HAEMOPHILUS INFLUENZAE  (taxid:727) ESCHERICHIA COLI  (taxid:562)
Authors : Murphy-Benenato, K.E., Boriack-Sjodin, P.A., Martinez-Botella, G., Carcanague, D., Gingipali, L., Gowravaram, M., Harang, J., Hale, M., Ioannidis, G., Jahic, H., Johnstone, M., Kutschke, A., Laganas, V.A., Loch, J., Oguto, H., Patel, S.J.
Keywords : LIGASE
Exp. method : X-RAY DIFFRACTION ( 2.33 Å )
Citation :

Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.

Murphy-Benenato, K.E.,Gingipalli, L.,Boriack-Sjodin, P.A.  et al.
(2015)  Bioorg.Med.Chem.Lett.  25 : 5172

PubMed: 26463129
DOI: 10.1016/J.BMCL.2015.09.075

Reaction

Chain : A
UniProt : P43813 (DNLJ_HAEIN)
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 HAMAP- Rule:MF_01588
-