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BMRB Entry 18355

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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18355
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Title: NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag

Deposition date: 2012-03-28 Original release date: 2013-05-20

Authors: Tripathi, Sarita; Pulavarti, S. V. S. R. Krishna; Yadav, Rahul; Jain, Anupam; Pathak, Prem Prakash; Meher, Akshaya Kumar; Arora, Ashish

Citation: Tripathi, Sarita; Pulavarti, S. V. S. R. Krishna; Yadav, Rahul; Jain, Anupam; Pathak, Prem Prakash; Meher, Akshaya Kumar; Arora, Ashish. "NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag"  J. Mol. Biol. ., .-..

Assembly members:
Rv0603-SSD, polymer, 81 residues, 8235.826 Da.

Natural source:   Common Name: Mycobacterium tuberculosis   Taxonomy ID: 1773   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium tuberculosis

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

Entity Sequences (FASTA):
Rv0603-SSD: GAMAFDGEDEVTGPDADRAR AAAVQAVPGGTAGEVETETG EGAAAYGVLVTRPDGTRVEV HLDRDFRVLDTEPADGDGGL E

Data sets:
Data typeCount
13C chemical shifts308
15N chemical shifts76
1H chemical shifts481

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Rv0603-SSD1

Entities:

Entity 1, Rv0603-SSD 81 residues - 8235.826 Da.

1   GLYALAMETALAPHEASPGLYGLUASPGLU
2   VALTHRGLYPROASPALAASPARGALAARG
3   ALAALAALAVALGLNALAVALPROGLYGLY
4   THRALAGLYGLUVALGLUTHRGLUTHRGLY
5   GLUGLYALAALAALATYRGLYVALLEUVAL
6   THRARGPROASPGLYTHRARGVALGLUVAL
7   HISLEUASPARGASPPHEARGVALLEUASP
8   THRGLUPROALAASPGLYASPGLYGLYLEU
9   GLU

Samples:

sample_1: Rv0603-SSD, [U-99% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; AEBSF protease inhibitor 1 mM; H2O 93%; D2O 7%

sample_2: Rv0603-SSD, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; AEBSF protease inhibitor 1 mM; H2O 93%; D2O 7%

sample_3: Rv0603-SSD, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; AEBSF protease inhibitor 1 mM; D2O 100%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_3isotropicsample_conditions_1
2D CB(CGCD)HDsample_2isotropicsample_conditions_1
2D CB(CGCE)HEsample_2isotropicsample_conditions_1
2D 1H-1H NOESY aromaticsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_3isotropicsample_conditions_1

Software:

Cyana3.0, Guntert, Mumenthaler and Wuthrich - structure solution

PSVS v1.4, Bhattacharya and Montelione - validation of structure quality

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAH24912 BAL64478 BAQ04491
EMBL CAL70634 CCC63207 CCE36143 CCG10466 CCP43342
GB ABQ72334 ABR04957 ACT23643 AEB02743 AEJ45755
REF NP_215117 WP_003403164 WP_016721382 WP_024456667 WP_031707638

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