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Backbone HN, N, Ca, C' and Cb assignments of the 19 kDa DHFR/NADPH complex at 9C and pH 7.6
Authors
Zaborowski, E., Chung, J., Kroon, G., Dyson, H.JANE., Wright, P.E.
Assembly
Dihydrofolate reductase complex with NADPH cofactor
Entity
1. Dihydrofolate reductase (polymer, Thiol state: all free), 159 monomers, 17999.16 Da Detail

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


2. NDP (non-polymer), 745.421 Da
Total weight
18744.582 Da
Max. entity weight
17999.16 Da
Source organism
Escherichia coli
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 44.1 %, Completeness (bb): 81.3 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All44.1 % (819 of 1857)21.1 % (202 of 957)64.4 % (468 of 727)86.1 % (149 of 173)
Backbone81.3 % (751 of 924)48.4 % (149 of 308)97.2 % (454 of 467)99.3 % (148 of 149)
Sidechain20.2 % (219 of 1082) 8.5 % (55 of 649)39.9 % (163 of 409) 4.2 % (1 of 24)
Aromatic 0.6 % (1 of 172) 1.2 % (1 of 86) 0.0 % (0 of 81) 0.0 % (0 of 5)
Methyl16.7 % (29 of 174) 9.2 % (8 of 87)24.1 % (21 of 87)

1. Dihydrofolate reductase

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

Sample

Temperature 282 (±0.1) K, pH 7.6 (±0.1)


#NameIsotope labelingTypeConcentration
1Dihydrofolate reductase[U-13C; U-15N]1.0 mM
2NADPH40.0 mM
3potassium phosphate70.0 mM
4KCl25.0 mM
5D2O[U-99.99% 2H]7 %
6NaN30.02 %
7DTT1 mM
8DSS20 uM

LACS Plot; CA
Referencing offset: -0.01 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: -0.01 ppm, Outliers: 3 Detail
LACS Plot; CO
Referencing offset: 0.29 ppm, Outliers: 3 Detail
Release date
2000-04-02
Citation 1
Letter to the Editor: Backbone HN, N, Ca, C' and Cb assignments of the 19 kDa DHFR/NADPH complex at 9C and pH 7.6
Zaborowski, E., Chung, J., Kroon, G., Dyson, H.JANE., Wright, P.E.
J. Biomol. NMR (2000), 16, 349-350
Citation 2
Natural products as inspiration for the development of new synthetic methods
J. Chin. Chem. Soc. (2018), 65, 43-59, PubMed 29430058 , DOI 10.1002/jccs.201700134 ,
Citation 3
Construction and evaluation of the kinetic scheme associated with dihydrofolate reductase from Escherichia coli
Fierke, C.A., Johnson, K.A., Benkovic, S.J.
Biochemistry (1987), 26, 4085-4092, PubMed 3307916 , DOI 10.1021/bi00387a052 ,
Citation 4
Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence
Sawaya, M.R., Kraut, J.
Biochemistry (1997), 36, 586-603, PubMed 9012674 , DOI 10.1021/bi962337c ,
Citation 5
Amino acid type determination in the sequential assignment procedure of uniformly 13C/15N-enriched proteins
Grzesiek, S., Bax, A.
J. Biomol. NMR (1993), 3, 185-204, PubMed 8477186 , DOI 10.1007/bf00178261 ,
Citation 6
Secondary structure of beta-hydroxydecanoyl thiol ester dehydrase, a 39-kDa protein, derived from H alpha, C alpha, C beta and CO signal assignments and the Chemical Shift Index: comparison with the crystal structure
J. Biomol. NMR (1996), 7, 335-340, PubMed 8765740 ,
Citation 7
Dynamics of the dihydrofolate reductase-folate complex: catalytic sites and regions known to undergo conformational change exhibit diverse dynamical features
Epstein, D.M., Benkovic, S.J., Wright, P.E.
Biochemistry (1995), 34, 11037-11048, PubMed 7669761 , DOI 10.1021/bi00035a009 ,
Citation 8
1H, 15N and 13C resonance assignments, secondary structure, and the conformation of substrate in the binary folate complex of Escherichia coli dihydrofolate reductase
Falzone, C.J., Cavanagh, J., Cowart, M., Palmer, A.G., Matthews, C.R., Benkovic, S.J., Wright, P.E.
J. Biomol. NMR (1994), 4, 349-366, PubMed 8019142 , DOI 10.1007/bf00179346 ,
Entries sharing articles BMRB: 2, Swiss-Prot: 1 entries Detail
  BMRB: 4349 released on 2007-07-12
    Title Backbone Resonance Assignments for the Fv Fragment of the Catalytic Antibody NPN43C9 with Bound p-nitrophenol
  BMRB: 5156 released on 2002-01-24
    Title Partial assignment of the calcium-bound calretinin I-II domain (residues 1-100): 1H, 13C and 15N backbone assignments (and partial sidechain assignment) for structured elements
  Swiss-Prot: P0ABQ4 released on 1986-07-21
    Title DYR_ECOLI Entity Dihydrofolate reductase
Related entities 1. Dihydrofolate reductase, : 1 : 32 : 50 : 16 : 69 entities Detail
Experiments performed 12 experiments Detail
Keywords dihydrofolate reductase, cofactor complex, NADPH