BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16846

Title: Central B domain of Rv0899 from Mycobacterium tuberculosis   PubMed: 20199110

Deposition date: 2010-04-07 Original release date: 2010-05-10

Authors: Teriete, Peter; Yao, Yong; Kolodzik, Adrian; Niederweis, Michael; Marassi, Francesca

Citation: Teriete, Peter; Yao, Yong; Kolodzik, Adrian; Yu, Jinghua; Song, Houhui; Niederweis, Michael; Marassi, Francesca. "Mycobacterium tuberculosis Rv0899 adopts a mixed alpha/beta-structure and does not form a transmembrane beta-barrel"  Biochemistry 49, 2768-2777 (2010).

Assembly members:
Rv0899, polymer, 131 residues, Formula weight is not available

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):
Rv0899: GASALSLSLLSISRSGNTVT LIGDFPDEAAKAALMTALNG LLAPGVNVIDQIHVDPVVRS LDFSSAEPVFTASVPIPDFG LKVERDTVTLTGTAPSSEHK DAVKRAATSTWPDMKIVNNI EVTGQAPPGPP

Data sets:
Data typeCount
13C chemical shifts536
15N chemical shifts126
1H chemical shifts818

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Rv08991

Entities:

Entity 1, Rv0899 131 residues - Formula weight is not available

residues 73 to 203

1   GLYALASERALALEUSERLEUSERLEULEU
2   SERILESERARGSERGLYASNTHRVALTHR
3   LEUILEGLYASPPHEPROASPGLUALAALA
4   LYSALAALALEUMETTHRALALEUASNGLY
5   LEULEUALAPROGLYVALASNVALILEASP
6   GLNILEHISVALASPPROVALVALARGSER
7   LEUASPPHESERSERALAGLUPROVALPHE
8   THRALASERVALPROILEPROASPPHEGLY
9   LEULYSVALGLUARGASPTHRVALTHRLEU
10   THRGLYTHRALAPROSERSERGLUHISLYS
11   ASPALAVALLYSARGALAALATHRSERTHR
12   TRPPROASPMETLYSILEVALASNASNILE
13   GLUVALTHRGLYGLNALAPROPROGLYPRO
14   PRO

Samples:

NMR_sample: Rv0899(73-220), [U-99% 15N], 1.7 ± 0.1 mM; Rv0899(73-220), [U-99% 13C; U-99% 15N], 1 ± 0.1 mM; phosphate 5 mM; H2O 95%; D2O 5%

D2O_sample: Rv0899(73-220), [U-99% 13C; U-99% 15N], 1 ± 0.1 mM; Rv0899(73-220), [U-99% 15N], 0.3 ± 0.1 mM; D2O 100%; phosphate 5 mM

RDC_Pf1: Rv0899(73-220), [U-99% 15N], 0.4 ± 0.1 mM; Pf1 phage 15 mg/ml; phosphate 5 mM; H2O 95%; D2O 5%

RDC_fd: Rv0899(73-220), [U-99% 15N], 0.4 ± 0.1 mM; fd phage 10 mg/ml; phosphate 5 mM; H2O 95%; D2O 5%; KCl 200 mM

RDC_stressed_gel: Rv0899 73-220, [U-99% 15N], 0.4 ± 0.1 mM; polyacrylamide gel 4.5%; phosphate 5 mM; H2O 95%; D2O 5%

sample_conditions: ionic strength: 0.005 M; pH: 7; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNMR_sampleisotropicsample_conditions
IPAPRDC_Pf1anisotropicsample_conditions
IPAPRDC_fdanisotropicsample_conditions
IPAPRDC_stressed_gelanisotropicsample_conditions
2D 1H-13C HSQCNMR_sampleisotropicsample_conditions
3D HNCANMR_sampleisotropicsample_conditions
3D HNCACBNMR_sampleisotropicsample_conditions
3D C(CO)NHNMR_sampleisotropicsample_conditions
3D HCCH-TOCSYD2O_sampleisotropicsample_conditions
3D 1H-15N NOESYNMR_sampleisotropicsample_conditions
3D 1H-15N TOCSYNMR_sampleisotropicsample_conditions
3D 1H-13C NOESYNMR_sampleisotropicsample_conditions
3D HNCONMR_sampleisotropicsample_conditions

Software:

NMRPipe v3.0, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.115, Goddard - data analysis

TALOS v+, Cornilescu, Delaglio and Bax - chemical shift calculation

X-PLOR NIH v2.24, Schwieters, Kuszewski, Tjandra and Clore - structure solution

REDCAT, Valafar and Prestegard - RDC analysis

PyMol, DeLano - structure analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

BMRB 16237 17863
PDB
DBJ BAH25212 BAL64801 BAQ04819 GAA44658
EMBL CAL70937 CCC25980 CCC43237 CCC63509 CCE36433
GB AAK45169 ABI54278 ABQ72638 ABR05261 ACT26182
REF NP_215414 NP_854580 WP_003404684 WP_003915129 WP_014000491
SP A1KH31 P65594 P9WIU4 P9WIU5

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