Brand  (β version)

PDB ID: 4IXF

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Ligands
Code Name Style Show Link
IXF N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-D]pyrimidine-2,4,6-triamine PoSSuM
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
Non-standard Residues
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Structure summary

Code : 4IXF   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/Inhibitor
Title : pcDHFR-269 F69N variant
Release Data : 2013-05-29
Compound :
mol_id molecule chains
1 Dihydrofolate reductase X
ec: 1.5.1.3
mutation: F69N
Source :
mol_id organism_scientific expression_system
1 Pneumocystis carinii  (taxid:4754) Escherichia coli  (taxid:562)
expression_system_strain: Rosetta Gami B (DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET-SUMO-pcDHFR-F69N
Authors : Cody, V.
Keywords : pcDHFR-269-NADPH F69N ternary complex, reductase, OXIDOREDUCTASE-Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.70 Å )
Citation :

Design, Synthesis, and Molecular Modeling of Novel Pyrido[2,3-d]pyrimidine Analogues As Antifolates; Application of Buchwald-Hartwig Aminations of Heterocycles.

Gangjee, A.,Namjoshi, O.A.,Raghavan, S.  et al.
(2013)  J.Med.Chem.  56 : 4422 - 4441

PubMed: 23627352
DOI: 10.1021/jm400086g

Reaction

Chain : X
UniProt : P16184 (DYR_PNECA)
Reaction: EC: Evidence:
Physiological Direction:
(6S)-5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH + H(+) 1.5.1.3 PROSITE-ProRule:PRU00660
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