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Biological Magnetic Resonance Data Bank


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BMRB Entry 27917

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27917
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Title: 1H, 13C, and 15N chemical shift assignments of COG4197, a monomeric Cro family member related to HigA   PubMed: 31625047

Deposition date: 2019-05-17 Original release date: 2020-04-03

Authors: Volkov, Oleksandr; Prolic Kalinsek, Marusa; De Bruyn, Pieter; Loris, Remy

Citation: Prolic-Kalinsek, Marusa; De Bruyn, Pieter; Jurenas, Dukas; Van Melderen, Laurence; Loris, Remy; Volkov, Alexander. "1H, 13C, and 15N backbone and side chain chemical shift assignment of YdaS, a monomeric member of the HigA family"  Biomol. NMR Assign. 14, 25-30 (2020).

Assembly members:
IdaS, polymer, 109 residues, Formula weight is not available

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28b

Entity Sequences (FASTA):
IdaS: MTLKEFIKSLRVGDAKKFAA RLGVSPSYLSQMASGRTAIS PTRALMIESATEGQVSRAEL RPHDWELIWPEYASGIRLGQ THVVHAEGDCSACLSDGVDS GSSHHHHHH

Data sets:
Data typeCount
13C chemical shifts428
15N chemical shifts102
1H chemical shifts669

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1IdaS1

Entities:

Entity 1, IdaS 109 residues - Formula weight is not available

1   METTHRLEULYSGLUPHEILELYSSERLEU
2   ARGVALGLYASPALALYSLYSPHEALAALA
3   ARGLEUGLYVALSERPROSERTYRLEUSER
4   GLNMETALASERGLYARGTHRALAILESER
5   PROTHRARGALALEUMETILEGLUSERALA
6   THRGLUGLYGLNVALSERARGALAGLULEU
7   ARGPROHISASPTRPGLULEUILETRPPRO
8   GLUTYRALASERGLYILEARGLEUGLYGLN
9   THRHISVALVALHISALAGLUGLYASPCYS
10   SERALACYSLEUSERASPGLYVALASPSER
11   GLYSERSERHISHISHISHISHISHIS

Samples:

sample_1: IdaS, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 150 mM; D2O, [U-99% 2H], 10%

sample_conditions_1: ionic strength: 165 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(C)CH TOCSYsample_1isotropicsample_conditions_1
3D (H)CCH TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Analysis, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

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