BMRB Entry 25451

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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/BMR25451
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of the dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei
Deposition date:
2015-01-22
Original release date:
2015-10-23
Authors:
Sturlese, Mattia; Stefani, Monica; Manta, Bruno; Mammi, Stefano; Comini, Marcelo; Bellanda, Massimo
Citation:

Citation: Stefani, Monica; Sturlese, Mattia; Manta, Bruno; Mammi, Stefano; Comini, Marcelo; Bellanda, Massimo; Stefani, Monica; Sturlese, Mattia; Manta, Bruno; Mammi, Stefano; Comini, Marcelo; Bellanda, Massimo. "1H, 13C and 15N resonance assignment of the cytosolic dithiol glutaredoxin 1 from the pathogen Trypanosoma brucei"  Biomol. NMR Assignments 10, 85-88 (2016).
PubMed: 26386962

Assembly members:

Assembly members:
entity, polymer, 97 residues, 10718.449 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-Trx1b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GAMPSIASMIKGNKVVVFSW VTCPYCVRAEKLLHARTKDI TVHYVDKMSEGEQLRGEIYQ AYKHETVPAIFINGNFIGGC SDLEALDKEGKLDGLLS

Data sets:
Data typeCount
13C chemical shifts404
15N chemical shifts92
1H chemical shifts642

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 97 residues - 10718.449 Da.

1   GLYALAMETPROSERILEALASERMETILE
2   LYSGLYASNLYSVALVALVALPHESERTRP
3   VALTHRCYSPROTYRCYSVALARGALAGLU
4   LYSLEULEUHISALAARGTHRLYSASPILE
5   THRVALHISTYRVALASPLYSMETSERGLU
6   GLYGLUGLNLEUARGGLYGLUILETYRGLN
7   ALATYRLYSHISGLUTHRVALPROALAILE
8   PHEILEASNGLYASNPHEILEGLYGLYCYS
9   SERASPLEUGLUALALEUASPLYSGLUGLY
10   LYSLEUASPGLYLEULEUSER

Samples:

sample_1: sodium phosphate 50 mM; sodium chloride 150 mM; DTT 10 mM; EDTA 1 mM; sodium azide 0.05%; PMSF 0.2 mM; Tb 2-C-Grx1, [U-13C; U-15N], 1 mM; D2O 95%; H2O 5%

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3DHN(CA)COsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(C)CH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D (H)C(CO)NHsample_1isotropicsample_conditions_1
2D (H)CB(CGCC)H-TOCSY (PHE-OPTIMIZED)sample_1isotropicsample_conditions_1
2D (H)CB(CGCC)H-TOCSY (TYR-OPTIMIZED)sample_1isotropicsample_conditions_1
2D (H)CB(CGCC)H-TOCSY (HIS-OPTIMIZED)sample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment

UNIO'10, Torsten Herrmann - NOESY assignment, peak picking

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

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

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

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

Related Database Links:

UNP E7AIJ0
AlphaFold E7AIJ0

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