BMRB Entry 15253

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15253

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Title:
NMR assignments of the binary hvDHFR1:folate complex
Deposition date:
2007-05-17
Original release date:
2008-08-25
Authors:
Boroujerdi, Arezue; K., John
Citation:

Citation: Boroujerdi, Arezue; Young, John. "NMR-derived folate-bound structure of dihydrofolate reductase 1 from the halophile Haloferax volcanii"  Biopolymers 91, 140-4 (2009).
PubMed: 18825778

Assembly members:

Assembly members:
hvDHFR1, polymer, 162 residues, 17965.8 Da.
FOL, non-polymer, 441.397 Da.

Natural source:

Natural source:   Common Name: Haloferax volcanii   Taxonomy ID: 2246   Superkingdom: Archaea   Kingdom: not available   Genus/species: Haloferax volcanii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-11d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hvDHFR1: MELVSVAALAENRVIGRDGE LPWPSIPADKKQYRSRVADD PVVLGRTTFESMRDDLPGSA QIVMSRSERSFSVDTAHRAA SVEEAVDIAASLDAETAYVI GGAAIYALFQPHLDRMVLSR VPGEYEGDTYYPEWDAAEWE LDAETDHEGFTLQEWVRSAS SR

Data sets:
Data typeCount
13C chemical shifts553
15N chemical shifts143
1H chemical shifts861

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1dihydrofolate reductase1
2folate2

Entities:

Entity 1, dihydrofolate reductase 162 residues - 17965.8 Da.

1   METGLULEUVALSERVALALAALALEUALA
2   GLUASNARGVALILEGLYARGASPGLYGLU
3   LEUPROTRPPROSERILEPROALAASPLYS
4   LYSGLNTYRARGSERARGVALALAASPASP
5   PROVALVALLEUGLYARGTHRTHRPHEGLU
6   SERMETARGASPASPLEUPROGLYSERALA
7   GLNILEVALMETSERARGSERGLUARGSER
8   PHESERVALASPTHRALAHISARGALAALA
9   SERVALGLUGLUALAVALASPILEALAALA
10   SERLEUASPALAGLUTHRALATYRVALILE
11   GLYGLYALAALAILETYRALALEUPHEGLN
12   PROHISLEUASPARGMETVALLEUSERARG
13   VALPROGLYGLUTYRGLUGLYASPTHRTYR
14   TYRPROGLUTRPASPALAALAGLUTRPGLU
15   LEUASPALAGLUTHRASPHISGLUGLYPHE
16   THRLEUGLNGLUTRPVALARGSERALASER
17   SERARG

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

1   FOL

Samples:

sample_1: hvDHFR1, [U-100% 13C; U-100% 15N], 4.5 mM; Folate 1.9 mM; D2O 5%; H2O 95%; TRIS 10 mM; sodium chloride 3.5 M

sample_conditions_1: ionic strength: 3.5 M; pH: 8.25; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C 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
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
GB AAA72219 ADE04659 ELK54743 ELY28035 ELZ74269
REF WP_004043660 WP_004063628
SP P15093
AlphaFold P15093

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