BMRB Entry 17277

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17277
MolProbity Validation Chart

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Title:
Solution Structure of a Putative Thioredoxin from Neisseria meningitidis
Deposition date:
2010-11-03
Original release date:
2010-11-15
Authors:
Harris, R.; Foti, R.; Seidel, R.; Bonanno, J.; Freeman, J.; Bain, K.; Sauder, J.; Burley, S.; Girvin, M.; Almo, S.
Citation:

Citation: Harris, R.; Foti, R.; Seidel, R.; Bonanno, J.; Freeman, J.; Bain, K.; Sauder, J.; Burley, S.; Girvin, M.; Almo, S.. "Solution Structure of a Putative Thioredoxin from Neisseria meningitidis"  To be published ., .-..

Assembly members:

Assembly members:
putative_thioredoxin, polymer, 153 residues, 17046.438 Da.

Natural source:

Natural source:   Common Name: Neisseria meningitidis   Taxonomy ID: 487   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Neisseria meningitidis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: modified pET26

Entity Sequences (FASTA):

Entity Sequences (FASTA):
putative_thioredoxin: MSLDSKTAPAFSLPDLHGKT VSNADLQGKVTLINFWFPSC PGCVSEMPKIIKTANDYKNK NFQVLAVAQPIDPIESVRQY VKDYGLPFTVMYDADKAVGQ AFGTQVYPTSVLIGKKGEIL KTYVGEPDFGKLYQEIDTAW RNSDAEGHHHHHH

Data sets:
Data typeCount
13C chemical shifts650
15N chemical shifts149
1H chemical shifts1021

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1putative thioredoxin1

Entities:

Entity 1, putative thioredoxin 153 residues - 17046.438 Da.

MSL are extra residues at the N-terminal from cloning and have not been included in the assignments

1   METSERLEUASPSERLYSTHRALAPROALA
2   PHESERLEUPROASPLEUHISGLYLYSTHR
3   VALSERASNALAASPLEUGLNGLYLYSVAL
4   THRLEUILEASNPHETRPPHEPROSERCYS
5   PROGLYCYSVALSERGLUMETPROLYSILE
6   ILELYSTHRALAASNASPTYRLYSASNLYS
7   ASNPHEGLNVALLEUALAVALALAGLNPRO
8   ILEASPPROILEGLUSERVALARGGLNTYR
9   VALLYSASPTYRGLYLEUPROPHETHRVAL
10   METTYRASPALAASPLYSALAVALGLYGLN
11   ALAPHEGLYTHRGLNVALTYRPROTHRSER
12   VALLEUILEGLYLYSLYSGLYGLUILELEU
13   LYSTHRTYRVALGLYGLUPROASPPHEGLY
14   LYSLEUTYRGLNGLUILEASPTHRALATRP
15   ARGASNSERASPALAGLUGLYHISHISHIS
16   HISHISHIS

Samples:

sample_1: putative thioredoxin, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; H20 90%; D20 10%

sample_2: putative thioredoxin 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; D20 100%

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
15N HSQCsample_1isotropicsample_conditions_1
15N NOESY-HSQCsample_1isotropicsample_conditions_1
13C HSQCsample_2isotropicsample_conditions_1
aromatic 13C HSQCsample_2isotropicsample_conditions_1
13C NOESY-HSQCsample_2isotropicsample_conditions_1
13C aromatic NOESY-HSQCsample_2isotropicsample_conditions_1
HNCOsample_1isotropicsample_conditions_1
HNCACOsample_1isotropicsample_conditions_1
HNCAsample_1isotropicsample_conditions_1
HNCOCAsample_1isotropicsample_conditions_1
HNCACBsample_1isotropicsample_conditions_1
CBCACONHsample_1isotropicsample_conditions_1

Software:

CNS v1.21, Brunger A. T. et.al. - refinement

CCPN_Analysis v2.1.2, CCPN - data analysis

NMR spectrometers:

  • Varian Inova 600 MHz
  • Bruker DRX 600 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB
EMBL CAM07772 CAM11090 CAX50914 CBA03707 CBA07256
GB AAF42287 AAW90722 ABX72465 ACF31196 ADO32377
REF NP_274952 WP_002214835 WP_002218071 WP_002235231 WP_002239346

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