BMRB Entry 26585

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26585

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Title:
Backbone 1H, 13C and 15N chemical shift assignments for the binary L28F ecDHFR:NADPH complex
Deposition date:
2015-06-02
Original release date:
2018-06-27
Authors:
Wright, Peter; Dyson, Jane; Stanfield, Robyn; Fenwick, Bryn; Oyen, David
Citation:

Citation: Oyen, David; Fenwick, R Bryn; Aoto, Phillip; Stanfield, Robyn; Wilson, Ian; Dyson, H Jane; Wright, Peter. "Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion"  J. Am. Chem. Soc. 139, 11233-11240 (2017).
PubMed: 28737940

Assembly members:

Assembly members:
dihydrofolate_reductase, polymer, 159 residues, 18028.2808 Da.
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, non-polymer, 745.421 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
dihydrofolate_reductase: MISLIAALAVDRVIGMENAM PWNLPADFAWFKRNTLNKPV IMGRHTWESIGRPLPGRKNI ILSSQPGTDDRVTWVKSVDE AIAACGDVPEIMVIGGGRVY EQFLPKAQKLYLTHIDAEVE GDTHFPDYEPDDWESVFSEF HDADAQNSHSYCFEILERR

Data sets:
Data typeCount
13C chemical shifts238
15N chemical shifts145
1H chemical shifts145

Additional metadata:

  • Assembly
  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1dihydrofolate reductase mutation (L28F)1
2DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE2

Entities:

Entity 1, dihydrofolate reductase mutation (L28F) 159 residues - 18028.2808 Da.

1   METILESERLEUILEALAALALEUALAVAL
2   ASPARGVALILEGLYMETGLUASNALAMET
3   PROTRPASNLEUPROALAASPPHEALATRP
4   PHELYSARGASNTHRLEUASNLYSPROVAL
5   ILEMETGLYARGHISTHRTRPGLUSERILE
6   GLYARGPROLEUPROGLYARGLYSASNILE
7   ILELEUSERSERGLNPROGLYTHRASPASP
8   ARGVALTHRTRPVALLYSSERVALASPGLU
9   ALAILEALAALACYSGLYASPVALPROGLU
10   ILEMETVALILEGLYGLYGLYARGVALTYR
11   GLUGLNPHELEUPROLYSALAGLNLYSLEU
12   TYRLEUTHRHISILEASPALAGLUVALGLU
13   GLYASPTHRHISPHEPROASPTYRGLUPRO
14   ASPASPTRPGLUSERVALPHESERGLUPHE
15   HISASPALAASPALAGLNASNSERHISSER
16   TYRCYSPHEGLUILELEUGLUARGARG

Entity 2, DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE - C21 H30 N7 O17 P3 - 745.421 Da.

1   NDP

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks