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PDBsum entry 3nxr

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protein ligands links
Oxidoreductase PDB id
3nxr
Jmol
Contents
Protein chain
186 a.a. *
Ligands
NDP
SO4 ×4
D2D
Waters ×184
* Residue conservation analysis
PDB id:
3nxr
Name: Oxidoreductase
Title: Perferential selection of isomer binding from chiral mixture alternate binding modes observed for the e- and z-isomers o of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as terna complexes with NADPH and human dihydrofolate reductase
Structure: Dihydrofolate reductase. Chain: a. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: dhfr, dhfrp1. Expressed in: escherichia coli. Expression_system_taxid: 562
Resolution:
1.35Å     R-factor:   0.199     R-free:   0.223
Authors: V.Cody
Key ref: V.Cody et al. (2010). Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr D Biol Crystallogr, 66, 1271-1277. PubMed id: 21123866 DOI: 10.1107/S0907444910035808
Date:
14-Jul-10     Release date:   01-Dec-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00374  (DYR_HUMAN) -  Dihydrofolate reductase
Seq:
Struc:
187 a.a.
186 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.1.5.1.3  - Dihydrofolate reductase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]

      Pathway:
Folate Coenzymes
      Reaction: 5,6,7,8-tetrahydrofolate + NADP+ = 7,8-dihydrofolate + NADPH
5,6,7,8-tetrahydrofolate
+
NADP(+)
Bound ligand (Het Group name = NDP)
corresponds exactly
= 7,8-dihydrofolate
+ NADPH
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cellular_component   3 terms 
  Biological process     small molecule metabolic process   16 terms 
  Biochemical function     drug binding     6 terms  

 

 
    reference    
 
 
DOI no: 10.1107/S0907444910035808 Acta Crystallogr D Biol Crystallogr 66:1271-1277 (2010)
PubMed id: 21123866  
 
 
Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
V.Cody, J.Piraino, J.Pace, W.Li, A.Gangjee.
 
  ABSTRACT  
 
No abstract given.