Brand  (β version)

PDB ID: 4KY4

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
UMP 2'-deoxyuridine 5'-monophosphate PoSSuM
04J Aminopterin PoSSuM
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
1UE 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-B]indol-4-one PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4KY4   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE, TRANSFERASE
Title : Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR
Release Data : 2014-08-06
Compound :
mol_id molecule chains synonym
1 Bifunctional dihydrofolate reductase-thymidylate synthase A,B,C,D,E,F,G,H DHFR-TS, Dihydrofolate reductase, Thymidylate synthase
ec: 1.5.1.3, 2.1.1.45
Source :
mol_id organism_scientific expression_system
1 Toxoplasma gondii  (taxid:5811) Escherichia coli  (taxid:562)
Authors : Sharma, H., Anderson, K.S.
Keywords : synthase, bifunctional, OXIDOREDUCTASE, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.7900 Å )
Citation :

Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.

Zaware, N.,Sharma, H.,Yang, J.  et al.
(2013)  ACS Med Chem Lett  4 : 1148 - 1151

PubMed: 24470841
DOI: 10.1021/ml400208v

Reaction

Chain : A, B, C, D, E, F, G, H
UniProt : Q07422 (DRTS_TOXGO)
Reaction: EC: Evidence:
Physiological Direction:
(6S)-5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH + H(+) 1.5.1.3 -
-
dUMP + (6R)-5,10-methylene-5,6,7,8-tetrahydrofolate = 7,8- dihydrofolate + dTMP 2.1.1.45 -
-