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 5741

Title: Backbone 1NH, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:DHNADPH complex   PubMed: 14500880

Deposition date: 2003-03-14 Original release date: 2003-10-08

Authors: Osborne, Michael; Venkitakrishnan, Rani; Dyson, H.; Wright, Peter

Citation: Osborne, Michael; Venkitakrishnan, Rani; Dyson, H.; Wright, Peter. "Diagnostic Chemical Shift Markers for Loop Conformation and Substrate and Cofactor Binding in Dihydrofolate Reductase Complexes"  Protein Sci. 12, 2230-2238 (2003).

Assembly members:
dihydrofolate reducatse, polymer, 159 residues, Formula weight is not available
FOL, non-polymer, 441.397 Da.
NDP, non-polymer, 745.421 Da.

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

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
dihydrofolate reducatse: MISLIAALAVDRVIGMENAM PWNLPADLAWFKRNTLDKPV IMGRHTWESIGRPLPGRKNI ILSSQPGTDDRVTWVKSVDE AIAACGDVPEIMVIGGGRVY EQFLPKAQKLYLTHIDAEVE GDTHFPDYEPDDWESVFSEF HDADAQNSHSYCFEILERR

Data sets:
Data typeCount
13C chemical shifts457
15N chemical shifts150
1H chemical shifts897

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DHFR1
2FOL2
3DHNADP3

Entities:

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

1   METILESERLEUILEALAALALEUALAVAL
2   ASPARGVALILEGLYMETGLUASNALAMET
3   PROTRPASNLEUPROALAASPLEUALATRP
4   PHELYSARGASNTHRLEUASPLYSPROVAL
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, FOL - C19 H19 N7 O6 - 441.397 Da.

1   FOL

Entity 3, DHNADP - C21 H30 N7 O17 P3 - 745.421 Da.

1   NDP

Samples:

sample_1: dihydrofolate reducatse, [U-13C; U-15N], 1.2 mM; FOLIC ACID 20 mM; 5,6-dihydro nicotinamide adenine dinucleotide phosphate 20 mM; potassium chloride 100 mM; EDTA 1 mM; DTT 1 mM; potassium phosphate 50 mM

condition_1: pH*: 6.8 na; temperature: 306.4 K

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCsample_1not availablecondition_1
1H-13C HSQCsample_1not availablecondition_1
HNCACBsample_1not availablecondition_1
CBCA(CO)NHsample_1not availablecondition_1
C(CO)NH-TOCSYsample_1not availablecondition_1

Software:

No software information available

NMR spectrometers:

  • BRUKER AMX 500 MHz
  • BRUKER DRX 600 MHz

Related Database Links:

BMRB 11492 25019 4554 5740
PDB
DBJ BAA05974 BAB33474 BAB96616 BAG75573 BAI23410
EMBL CAA28755 CAP74618 CAQ30568 CAQ87642 CAQ96940
GB AAA87976 AAC73159 AAG54351 AAN41711 AAN78554
REF NP_285743 NP_308078 NP_414590 NP_706004 NP_752010
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