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PDBsum entry 4eeq

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protein ligands links
Ligase/ligase inhibitor PDB id
4eeq
Jmol
Contents
Protein chain
313 a.a.
Ligands
SO4 ×2
NMN
0OX
Waters ×440
PDB id:
4eeq
Name: Ligase/ligase inhibitor
Title: Crystal structure of e. Faecalis DNA ligase with inhibitor
Structure: DNA ligase. Chain: a. Synonym: polydeoxyribonucleotide synthase [nad(+)]. Engineered: yes
Source: Enterococcus faecalis. Organism_taxid: 1351. Gene: liga, ef_0722
Resolution:
2.10Å     R-factor:   0.192     R-free:   0.245
Authors: T.Wang,P.Charifson,Y.Wei
Key ref: T.Wang et al. Design, Synthesis and activity evaluation of potent n ligase inhibitors as potential antibacterial agents.. To be published, .
Date:
28-Mar-12     Release date:   03-Apr-13    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q837V6  (DNLJ_ENTFA) -  DNA ligase
Seq:
Struc:
 
Seq:
Struc:
676 a.a.
313 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.6.5.1.2  - Dna ligase (NAD(+)).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: NAD+ + (deoxyribonucleotide)(n) + (deoxyribonucleotide)(m) = AMP + beta-nicotinamide D-ribonucleotide + (deoxyribonucleotide)(n+m)
NAD(+)
+ (deoxyribonucleotide)(n)
+ (deoxyribonucleotide)(m)
= AMP
+
beta-nicotinamide D-ribonucleotide
Bound ligand (Het Group name = NMN)
corresponds exactly
+ (deoxyribonucleotide)(n+m)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     DNA repair   2 terms 
  Biochemical function     DNA ligase (NAD+) activity     1 term