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Backbone 1H, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:NADP+ complex
Authors
Osborne, M.J., Venkitakrishnan, R.P., Dyson, H.JANE., Wright, P.E.
Assembly
Dihydrofolate reductase
Entity
1. dihydrofolate reducatse (polymer, Thiol state: all free), 159 monomers, 18000.14 Da Detail

MISLIAALAV DRVIGMENAM PWNLPADLAW FKRNTLDKPV IMGRHTWESI GRPLPGRKNI ILSSQPGTDD RVTWVKSVDE AIAACGDVPE IMVIGGGRVY EQFLPKAQKL YLTHIDAEVE GDTHFPDYEP DDWESVFSEF HDADAQNSHS YCFEILERR


2. FOL (non-polymer), 441.397 Da
3. NAP (non-polymer), 743.405 Da
Total weight
19184.941 Da
Max. entity weight
18000.14 Da
Source organism
Escherichia coli
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.1 %, Completeness: 42.9 %, Completeness (bb): 65.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All42.9 % (796 of 1854)21.6 % (206 of 955)61.8 % (449 of 727)82.0 % (141 of 172)
Backbone65.4 % (604 of 924)48.7 % (150 of 308)67.2 % (314 of 467)94.0 % (140 of 149)
Sidechain31.2 % (337 of 1079) 8.8 % (57 of 647)68.2 % (279 of 409) 4.3 % (1 of 23)
Aromatic 0.0 % (0 of 172) 0.0 % (0 of 86) 0.0 % (0 of 81) 0.0 % (0 of 5)
Methyl47.7 % (83 of 174)13.8 % (12 of 87)81.6 % (71 of 87)

1. dihydrofolate reducatse

MISLIAALAV DRVIGMENAM PWNLPADLAW FKRNTLDKPV IMGRHTWESI GRPLPGRKNI ILSSQPGTDD RVTWVKSVDE AIAACGDVPE IMVIGGGRVY EQFLPKAQKL YLTHIDAEVE GDTHFPDYEP DDWESVFSEF HDADAQNSHS YCFEILERR

Sample

Temperature 306.4 (±0.1) K


#NameIsotope labelingTypeConcentration
1dihydrofolate reducatse[U-13C; U-15N]1.2 mM
2FOLIC ACID20 mM
3NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE20 mM
4potassium chloride100 mM
5EDTA1 mM
6DTT1 mM
7potassium phosphate50 mM

Release date
2003-10-07
Citation
Diagnostic chemical shift markers for loop conformation and substrate and cofactor binding in dihydrofolate reductase complexes
Osborne, M.J., Venkitakrishnan, R.P., Dyson, H.JANE., Wright, P.E.
Protein Sci. (2003), 12, 2230-2238, PubMed 14500880 , DOI 10.1110/ps.03219603 ,
Entries sharing articles BMRB: 1 entries Detail
  BMRB: 5741 released on 2003-10-07
    Title Backbone 1NH, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:DHNADPH complex
Related entities 1. dihydrofolate reducatse, : 1 : 44 : 38 : 3 : 83 entities Detail
Experiments performed 5 experiments Detail
Keywords chemical shift, Met20 loop conformation