BMRB Entry 17946

Title:
Aliphatic 1H, 13C, and 15N chemical shift assignments of dihydrofolate reductase from the psychropiezophile Moritella profunda in complex with NADP+ and folate
Deposition date:
2011-09-19
Original release date:
2011-09-23
Authors:
Loveridge, E.; Williams, Christopher; Whittaker, Sara; Gunther, Ulrich; Crump, Matthew; Allemann, Rudolf
Citation:

Citation: Loveridge, E. Joel; Matthews, Stella; Williams, Christopher; Whittaker, Sara B-M; Gunther, Ulrich; Evans, Rhiannon; Dawson, William; Crump, Matthew; Allemann, Rudolf. "Aliphatic (1)H, (13)C and (15)N chemical shift assignments of dihydrofolate reductase from the psychropiezophile Moritella profunda in complex with NADP(+) and folate."  Biomol. NMR Assignments 7, 61-64 (2013).
PubMed: 22415546

Assembly members:

Assembly members:
Dihydrofolate_reductase_from_Moritella_profunda, polymer, 162 residues, 18291.8 Da.
NAP, non-polymer, 743.405 Da.
FOL, non-polymer, 441.397 Da.

Natural source:

Natural source:   Common Name: Moritella profunda   Taxonomy ID: 111291   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Moritella profunda

Experimental source:

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

Data sets:
Data typeCount
13C chemical shifts665
15N chemical shifts169
1H chemical shifts1062

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Dihydrofolate reductase from Moritella profunda1
2NADP+2
3Folate3

Entities:

Entity 1, Dihydrofolate reductase from Moritella profunda 162 residues - 18291.8 Da.

1   METILEVALSERMETILEALAALALEUALA
2   ASNASNARGVALILEGLYLEUASPASNLYS
3   METPROTRPHISLEUPROALAGLULEUGLN
4   LEUPHELYSARGALATHRLEUGLYLYSPRO
5   ILEVALMETGLYARGASNTHRPHEGLUSER
6   ILEGLYARGPROLEUPROGLYARGLEUASN
7   ILEVALLEUSERARGGLNTHRASPTYRGLN
8   PROGLUGLYVALTHRVALVALALATHRLEU
9   GLUASPALAVALVALALAALAGLYASPVAL
10   GLUGLULEUMETILEILEGLYGLYALATHR
11   ILETYRASNGLNCYSLEUALAALAALAASP
12   ARGLEUTYRLEUTHRHISILEGLULEUTHR
13   THRGLUGLYASPTHRTRPPHEPROASPTYR
14   GLUGLNTYRASNTRPGLNGLUILEGLUHIS
15   GLUSERTYRALAALAASPASPLYSASNPRO
16   HISASNTYRARGPHESERLEULEUGLUARG
17   VALLYS

Entity 2, NADP+ - C21 H28 N7 O17 P3 - 743.405 Da.

1   NAP

Entity 3, Folate - C19 H19 N7 O6 - 441.397 Da.

1   FOL

Samples:

MpDHFR: Dihydrofolate reductase from Moritella profunda, [U-13C; U-15N], 1.3 mM; NADP+ 6 mM; Folic acid 6 mM; potassium phosphate 50 mM; sodium chloride 1 mM; beta-mercaptoethanol 10 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 291 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCMpDHFRisotropicsample_conditions_1
3D HNCAMpDHFRisotropicsample_conditions_1
3D HN(CO)CAMpDHFRisotropicsample_conditions_1
3D HNCACBMpDHFRisotropicsample_conditions_1
3D CBCA(CO)NHMpDHFRisotropicsample_conditions_1
3D C(CO)NHMpDHFRisotropicsample_conditions_1
3D H(CCO)NHMpDHFRisotropicsample_conditions_1
3D HCCH-TOCSYMpDHFRisotropicsample_conditions_1
3D HNCOMpDHFRisotropicsample_conditions_1
3D HN(CA)COMpDHFRisotropicsample_conditions_1
3D 1H-15N NOESYMpDHFRisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticMpDHFRisotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian VNMRS 600 MHz
  • Varian INOVA 900 MHz

Related Database Links:

PDB
DBJ BAI50910 BAO02847
EMBL CAD32276
GB EDM69127
REF WP_043993544

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