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Biological Magnetic Resonance Data Bank


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BMRB Entry 18485

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18485
MolProbity Validation Chart

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Title: Solution structure of a monomeric truncated mutant of Trypanosoma brucei 1-C-Grx1   PubMed: 23259530

Deposition date: 2012-05-29 Original release date: 2013-04-02

Authors: Bellanda, Massimo; Pavan, Carlo; Gesiot, Lorenzo; Comini, Marcelo; Manta, Bruno; Mammi, Stefano; Sturlese, Mattia

Citation: Manta, Bruno; Pavan, Carlo; Sturlese, Mattia; Medeiros, Andrea; Crispo, Martina; Berndt, Carsten; Krauth-Siegel, R.; Bellanda, Massimo; Comini, Marcelo. "Iron-sulfur cluster binding by mitochondrial monothiol glutaredoxin-1 of Trypanosoma brucei: molecular basis of iron-sulfur cluster coordination and relevance for parasite infectivity"  Antioxid. Redox Signal. 19, 665-682 (2013).

Assembly members:
1-C-Grx1, polymer, 110 residues, 12325.543 Da.

Natural source:   Common Name: kinetoplastids   Taxonomy ID: 5691   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Trypanosoma brucei

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

Entity Sequences (FASTA):
1-C-Grx1: GAMVKKDIDDTIKSEDVVTF IKGLPEAPMCAYSKRMIDVL EALGLEYTSFDVLAHPVVRS YVKEVSEWPTIPQLFIKAEF VGGLDIVTKMLESGDLKKML RDKGITCRDL

Data sets:
Data typeCount
13C chemical shifts496
15N chemical shifts103
1H chemical shifts816

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Tb 1-C-Grx1 monomer1

Entities:

Entity 1, Tb 1-C-Grx1 monomer 110 residues - 12325.543 Da.

1   GLYALAMETVALLYSLYSASPILEASPASP
2   THRILELYSSERGLUASPVALVALTHRPHE
3   ILELYSGLYLEUPROGLUALAPROMETCYS
4   ALATYRSERLYSARGMETILEASPVALLEU
5   GLUALALEUGLYLEUGLUTYRTHRSERPHE
6   ASPVALLEUALAHISPROVALVALARGSER
7   TYRVALLYSGLUVALSERGLUTRPPROTHR
8   ILEPROGLNLEUPHEILELYSALAGLUPHE
9   VALGLYGLYLEUASPILEVALTHRLYSMET
10   LEUGLUSERGLYASPLEULYSLYSMETLEU
11   ARGASPLYSGLYILETHRCYSARGASPLEU

Samples:

sample_1: Tb 1-C-Grx1, [U-13C; U-15N], 1 mM; sodium phosphate 50 mM; sodium chloride 150 mM; DTT 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHA(CBCACO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D H(CCCO)NH-TOCSYsample_1isotropicsample_conditions_1
3D (H)C(CCO)NH-TOCSYsample_1isotropicsample_conditions_1
3D H(C)CH-TOCSYsample_1isotropicsample_conditions_1
2D (H)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (H)CB(CGCC)H-TOCSY (Tyr-optimized)sample_1isotropicsample_conditions_1
2D (H)CB(CGCC)H-TOCSY (Phe-optimized)sample_1isotropicsample_conditions_1
3D (H)CCH-TOCSY (arom)sample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY( aliph)sample_1isotropicsample_conditions_1
3D 1H-13C NOESY (arom)sample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

TOPSPIN, Bruker Biospin - collection, processing

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

UNIO'10 v2.0.1, (UNIO) Torsten HERRMANN - peak picking, structure solution

CARA, Keller and Wuthrich - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz
  • Bruker Avance 500 MHz

Related Database Links:

BMRB 19736
PDB
EMBL CAF02300 CBH14109
GB EAN76448
REF XP_011776380 XP_803662

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