BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 11556

Title: Sequential backbone HN, N, Ca and Cb assignments of E.coli dihydrofolate reductase G67V mutant-folate binary complex   PubMed: 26482924

Authors: Puthenpurackal Narayanan, Sunilkumar; Maeno, Akihiro; Wada, Yuji; Tate, Shin-ichi; Akasaka, Kazuyuki

Citation: Puthenpurackal Narayanan, Sunilkumar; Maeno, Akihiro; Wada, Yuji; Tate, Shin-ichi; Akasaka, Kazuyuki. "Sequential backbone resonance assignments of the E. coli dihydrofolate reductase Gly67Val mutant: folate complex"  Biomol. NMR Assign. ., .-. (2015).

Assembly members:
DHFR, polymer, 159 residues, 18041.4 Da.
FOLIC ACID, non-polymer, 441.397 Da.

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

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

Entity Sequences (FASTA):
DHFR: MISLIAALAVDRVIGMENAM PWNLPADLAWFKRNTLNKPV IMGRHTWESIGRPLPGRKNI ILSSQPVTDDRVTWVKSVDE AIAACGDVPEIMVIGGGRVY EQFLPKAQKLYLTHIDAEVE GDTHFPDYEPDDWESVFSEF HDADAQNSHSYCFEILERR

Data sets:
Data typeCount
13C chemical shifts292
15N chemical shifts137
1H chemical shifts137

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1DHFR(G67V)1
2Folate2

Entities:

Entity 1, DHFR(G67V) 159 residues - 18041.4 Da.

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

Entity 2, Folate - C19 H19 N7 O6 - 441.397 Da.

1   FOL

Samples:

sample_1: DHFR, [U-100% 13C; U-100% 15N], 1.2 mM; Folate 4.5 mM; D2O, [U-100% 2H], 5%; H2O 95%; DSS 0.01 mM; TRIS 0.01715 M

sample_conditions_1: ionic strength: 0.01715 M; pH: 7; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

CCPNMR_Analysis, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker DMX 600 MHz

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