BMRB Entry 18214

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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/BMR18214
MolProbity Validation Chart

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Title:
Solution NMR structure of TSTM1273 from Salmonella typhimurium LT2, NESG target STT322, CSGID target IDP01027 and OCSP target TSTM1273
Deposition date:
2012-01-24
Original release date:
2012-03-19
Authors:
Wu, Bin; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl
Citation:

Citation: Wu, Bin; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl. "Solution NMR structure of TSTM1273 from Salmonella typhimurium LT2, NESG target STT322, CSGID target IDP01027 and OCSP target TSTM1273"  .

Assembly members:

Assembly members:
tstm1273, polymer, 63 residues, 7090.189 Da.

Natural source:

Natural source:   Common Name: Salmonella enterica   Taxonomy ID: 28901   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Salmonella enterica

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMCSG7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
tstm1273: MSRMDNTELPHPKEIDNETL LPAAERRVNSQALLGPDGKV IIDHNGQEYLLRKTQAGKLL LTK

Data typeCount
13C chemical shifts259
15N chemical shifts61
1H chemical shifts441

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1tstm12731

Entities:

Entity 1, tstm1273 63 residues - 7090.189 Da.

1   METSERARGMETASPASNTHRGLULEUPRO
2   HISPROLYSGLUILEASPASNGLUTHRLEU
3   LEUPROALAALAGLUARGARGVALASNSER
4   GLNALALEULEUGLYPROASPGLYLYSVAL
5   ILEILEASPHISASNGLYGLNGLUTYRLEU
6   LEUARGLYSTHRGLNALAGLYLYSLEULEU
7   LEUTHRLYS

Samples:

sample_1: tstm1273, [U-100% 13C; U-100% 15N], 0.3 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x

sample_2: tstm1273, [U-100% 13C; U-100% 15N], 0.3 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x

sample_3: tstm1273, [U-7% 13C; U-100% 15N], 0.2 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1

Software:

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDGUI v1.0, Gutmanas, Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis

FMCGUI v2.4, Lemak, Arrowsmith - chemical shift assignment

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

FAWN, Lemak, Arrowsmith - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
DBJ BAJ36305 BAP07199
EMBL CAD02006 CAR33280 CAR37628 CAR59568 CBG24365
GB AAL20271 AAO68882 AAV77430 AAX65271 ABX21515
PIR AE0704
REF NP_456165 NP_460312 WP_000089115 WP_000089116 WP_000089117

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