PDBsum entry 1qf4

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protein ligands metals links
Ligase PDB id
Protein chain
431 a.a. *
Waters ×81
* Residue conservation analysis
PDB id:
Name: Ligase
Title: Design, synthesis, and x-ray crystal structure of an enzyme bisubstrate hybrid inhibitor of adenylosuccinate synthetase
Structure: Protein (adenylosuccinate synthetase). Chain: a. Ec:
Source: Escherichia coli. Organism_taxid: 562. Strain: pur a strain h1238. Atcc: 5408, coli genetic stock center. Collection: 5408, coli genetic stock center. Other_details: a gift from dr. B. Bachurce 4 (genetic cente university)
Biol. unit: Dimer (from PDB file)
2.20Å     R-factor:   0.194     R-free:   0.247
Authors: S.Hanessian,P.-P.Lu,J.-Y.Sanceau,P.Chemla,K.Gohda,R.Fonne-Pf L.Prade,S.W.Cowan-Jacob
Key ref: S.Hanessian et al. (1999). An Enzyme-Bound Bisubstrate Hybrid Inhibitor of Adenylosuccinate Synthetase. Angew Chem Int Ed Engl, 38, 3159-3162. PubMed id: 10556888
06-Apr-99     Release date:   02-Dec-99    
Go to PROCHECK summary

Protein chain
Pfam   ArchSchema ?
P0A7D4  (PURA_ECOLI) -  Adenylosuccinate synthetase
432 a.a.
431 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.  - Adenylosuccinate synthase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]

AMP and GMP Biosynthesis
      Reaction: GTP + IMP + L-aspartate = GDP + phosphate + N6-(1,2-dicarboxyethyl)- AMP
+ L-aspartate
Bound ligand (Het Group name = GDP)
corresponds exactly
Bound ligand (Het Group name = PO4)
corresponds exactly
+ N(6)-(1,2-dicarboxyethyl)- AMP
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   3 terms 
  Biological process     'de novo' AMP biosynthetic process   5 terms 
  Biochemical function     nucleotide binding     6 terms  


Angew Chem Int Ed Engl 38:3159-3162 (1999)
PubMed id: 10556888  
An Enzyme-Bound Bisubstrate Hybrid Inhibitor of Adenylosuccinate Synthetase.
S.Hanessian, P.P.Lu, J.Y.Sancéau, P.Chemla, K.Gohda, R.Fonne-Pfister, L.Prade, S.W.Cowan-Jacob.
Two relatively weak herbicides, hydantocidin phosphate and hadacidin were linked by a C(3) chain to afford a potent inhibitor (the 2S hybrid is shown) of the enzyme adenylosuccinate synthetase. The crystal structures of the bisubstrate-enzyme complexes were determined.

Literature references that cite this PDB file's key reference

  PubMed id Reference
19763291 N.Bragnier, R.Guillot, and M.C.Scherrmann (2009).
Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine.
  Org Biomol Chem, 7, 3918-3921.  
15701787 T.Borza, C.E.Popescu, and R.W.Lee (2005).
Multiple metabolic roles for the nonphotosynthetic plastid of the green alga Prototheca wickerhamii.
  Eukaryot Cell, 4, 253-261.  
15368579 R.Paulini, C.Lerner, R.Jakob-Roetne, G.Zürcher, E.Borroni, and F.Diederich (2004).
Bisubstrate inhibitors of the enzyme catechol O-methyltransferase (COMT): efficient inhibition despite the lack of a nitro group.
  Chembiochem, 5, 1270-1274.  
12186864 C.V.Iancu, T.Borza, H.J.Fromm, and R.B.Honzatko (2002).
Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase.
  J Biol Chem, 277, 40536-40543.
PDB codes: 1mez 1mf0 1mf1
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