Brand  (β version)

PDB ID: 4QHV

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
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
SO4 Sulfate ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4QHV   PDBj   RCSB PDB   PDBe
Header : oxidoreductase/oxidoreductase inhibitor
Title : Crystal structure of human dihydrofolate reductase as complex with pyridopyrimidine 22 (N~6~-METHYL-N~6~-[4-(PROPAN-2-YL)PHENYL]PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE)
Release Data : 2015-06-10
Compound :
mol_id molecule chains
1 Dihydrofolate reductase A
ec: 1.5.1.3
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: DHFR
expression_system_strain: pDS5(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET-SUMO-hDHFR
Authors : Cody, V.
Keywords : inhibitor binding, Rossman fold, hydrolase, inhibitor, cofactor NADPH, oxidoreductase-oxidoreductase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.61 Å )
Citation :

Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.

Cody, V.,Pace, J.,Namjoshi, O.A.  et al.
(2015)  Acta Crystallogr F Struct Biol Commun  71 : 799 - 803

PubMed: 26057816
DOI: 10.1107/S2053230X15008468

Reaction

Chain : A
UniProt : P00374 (DYR_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
(6S)-5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + H(+) + NADPH 1.5.1.3 PROSITE- ProRule:PRU00660, PubMed:12096917, PubMed:15039552, PubMed:17569517, PubMed:19196009, PubMed:19478082, PubMed:21876184, PubMed:9719595
-