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Structure paper

TitleStructural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Journal, issue, pagesCancer Res., Vol. 69, Page 7294-7301, Year 2009
Publish dateJun 22, 2009 (structure data deposition date)
AuthorsWu, D. / Li, Y. / Song, G. / Cheng, C. / Zhang, R. / Joachimiak, A. / Shaw, N. / Liu, Z.-J.
External linksCancer Res. / PubMed:19738041
MethodsX-ray diffraction
Resolution1.8 - 2.795 Å
Structure data

PDB-3hxt:
Structure of human MTHFS
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3hy3:
Structure of human MTHFS with 10-formyltetrahydrofolate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3hy4:
Structure of human MTHFS with N5-iminium phosphate
Method: X-RAY DIFFRACTION / Resolution: 2.795 Å

PDB-3hy6:
Structure of human MTHFS with ADP
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-10F:
N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid

ChemComp-N5G:
N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid

ChemComp-PO4:
PHOSPHATE ION

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

Source
  • homo sapiens (human)
KeywordsLIGASE / antifolate / cancer / one-carbon metabolic network / Acetylation / ATP-binding / Cytoplasm / Folate-binding / Magnesium / Nucleotide-binding / Polymorphism / 10-formyltetrahydrofolate / N5-iminium phosphate / ADP

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