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 4554

Title: Backbone HN, N, Ca, C' and Cb assignments of the 19 kDa DHFR/NADPH complex at 9C and pH 7.6

Deposition date: 1999-12-10 Original release date: 2000-04-03

Authors: Zaborowski, Eduardo; Chung, John; Kroon, Gerard; Dyson, H.; Wright, Peter

Citation: Zaborowski, Eduardo; Chung, John; Kroon, Gerard; Dyson, H.; Wright, Peter. "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"  J. Biomol. NMR 16, 349-350 (2000).

Assembly members:
Dihydrofolate reductase, polymer, 159 residues, 18200 Da.
NDP, non-polymer, 745.421 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   Vector: pET-22b+

Entity Sequences (FASTA):
Dihydrofolate reductase: MISLIAALAVDRVIGMENAM PWNLPADLAWFKRNTLNKPV IMGRHTWESIGRPLPGRKNI ILSSQPGTDDRVTWVKSVDE AIAACGDVPEIMVIGGGRVY EQFLPKAQKLYLTHIDAEVE GDTHFPDYEPDDWESVFSEF HDADAQNSHSYCFEILERR

Data sets:
Data typeCount
1H chemical shifts147
13C chemical shifts449
15N chemical shifts147

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DHFR1
2NADPH2

Entities:

Entity 1, DHFR 159 residues - 18200 Da.

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, NADPH - C21 H30 N7 O17 P3 - 745.421 Da.

1   NDP

Samples:

sample_1: Dihydrofolate reductase, [U-13C; U-15N], 1.0 mM; NADPH 40.0 mM; potassium phosphate 70.0 mM; KCl 25.0 mM; D2O, [U-99.99% 2H], 7%; NaN3 0.02%; DTT 1 mM; DSS 20 uM

sample_2: Dihydrofolate reductase, [U-13C; U-15N; U-2H], 1.0 mM; NADPH 40.0 mM; potassium phosphate 40.0 mM; KCl 25.0 mM; D2O 7%; NaN3 0.02%; DTT 1.0 mM; DSS 20.0 uM

cond_1: pH: 7.6; temperature: 282 K

Experiments:

NameSampleSample stateSample conditions
15N-HSQCnot availablenot availablecond_1
HNCAnot availablenot availablecond_1
HNCACBnot availablenot availablecond_1
CBCA(CO)NHnot availablenot availablecond_1
HNCOnot availablenot availablecond_1
HN(CA)COnot availablenot availablecond_1
15N-HSQC-NOESY-HSQCnot availablenot availablecond_1
ddHNCAnot availablenot availablecond_1
ddHN(CO)CAnot availablenot availablecond_1
ddHN(CA)CBnot availablenot availablecond_1
ddHN(CO)CACBnot availablenot availablecond_1
dd - deuterium decoupled experimentsnot availablenot availablecond_1

Software:

NMRPipe - spectrum processing

NMRView - spectrum analysis and assignment

seq_prob - sequence specific assignment

NMR spectrometers:

  • Bruker AMX 500 MHz
  • Bruker AMX-II 500 MHz
  • Bruker AMX 600 MHz
  • Bruker DRX 600 MHz

Related Database Links:

BMRB 11492 25019
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

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts