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Structure paper

TitleStructures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Journal, issue, pagesBiochemistry, Vol. 39, Page 6325-6335, Year 2000
Publish dateNov 29, 1999 (structure data deposition date)
AuthorsSchmidt, A. / Wu, H. / MacKenzie, R.E. / Chen, V.J. / Bewly, J.R. / Ray, J.E. / Toth, J.E. / Cygler, M.
External linksBiochemistry / PubMed:10828945
MethodsX-ray diffraction
Resolution2.2 - 2.7 Å
Structure data

PDB-1dia:
HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY249543
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-1dib:
HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY345899
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-1dig:
HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY374571
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-L24:
[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID

ChemComp-HOH:
WATER

ChemComp-L34:
4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI

ChemComp-L37:
[[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID

ChemComp-ACT:
ACETATE ION

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / HYDROLASE / TETRAHYDROFOLATE / DEHYDROGENASE / CYCLOHYDROLASE / NADP / INHIBITOR / ROSSMANN FOLD

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