BMRB Entry 25019

Title:
Sequential backbone HN, N, Ca and Cb assignments of E.coli dihydrofolate reductase-folate binary complex at pH 7.0 and 308 K
Deposition date:
2014-06-13
Original release date:
2014-07-14
Authors:
Puthenpurackal Narayanan, Sunilkumar; Maeno, Akihiro; Wada, Yuji; Tate, Shin-ichi; Akasaka, Kazuyuki
Citation:

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).
PubMed: 26482924

Assembly members:

Assembly members:
DHFR, polymer, 159 residues, Formula weight is not available
entity_FOL, non-polymer, 441.397 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: pTP64-1

Data sets:
Data typeCount
13C chemical shifts295
15N chemical shifts140
1H chemical shifts140

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1DHFR1
2folate2

Entities:

Entity 1, DHFR 159 residues - Formula weight is not available

1   METILESERLEUILEALAALALEUALAVAL
2   ASPARGVALILEGLYMETGLUASNALAMET
3   PROTRPASNLEUPROALAASPLEUALATRP
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, folate - C19 H19 N7 O6 - 441.397 Da.

1   FOL

Samples:

sample_1: DHFR, [U-100% 13C; U-100% 15N], 1.2 mM; folate 1.2 mM; TRIS buffer 20 mM

sample_conditions_1: ionic strength: 0.01715 mM; 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, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

BMRB 11492 4554
PDB
DBJ BAA05974 BAB33474 BAB96616 BAG75573 BAI23410
EMBL CAA28755 CAD01243 CAP74618 CAQ30568 CAQ87642
GB AAA87976 AAC73159 AAG54351 AAN41711 AAN78554
PIR AC0513
REF NP_308078 NP_414590 NP_454699 NP_706004 WP_000378105
SP P0ABQ4 P0ABQ5 P0ABQ6
AlphaFold P0ABQ5 P0ABQ6 P0ABQ4

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