BMRB Entry 27141

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27141
MolProbity Validation Chart

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Title:
1H, 13C, and 15N Chemical Shift Assignments for the N-terminal Signaling Domain of the Pseudomonas capeferrum TonB-dependent Transducer PupB
Deposition date:
2017-06-16
Original release date:
2017-11-08
Authors:
Jensen, Jaime; Colbert, Christopher
Citation:

Citation: Jensen, Jaime; Wu, Qiong; Colbert, Christopher. "NMR assignments of the N-terminal signaling domain of the TonB-dependent outer membrane transducer PupB"  Biomol. NMR Assignments 12, 91-94 (2018).
PubMed: 29071576

Assembly members:

Assembly members:
PupB-NTSD, polymer, 82 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 1495066   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas capeferrum

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PupB-NTSD: GSAQADFDIPAGPLAPALAH FGQSAHILLSYPTALTEGRS TSGLAGRFDIDQGLAILLAG TGLEASRGANASYSLQASAS TG

Data sets:
Data typeCount
13C chemical shifts309
15N chemical shifts82
1H chemical shifts493

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PupB-NTSD monomer1

Entities:

Entity 1, PupB-NTSD monomer 82 residues - Formula weight is not available

1   GLYSERALAGLNALAASPPHEASPILEPRO
2   ALAGLYPROLEUALAPROALALEUALAHIS
3   PHEGLYGLNSERALAHISILELEULEUSER
4   TYRPROTHRALALEUTHRGLUGLYARGSER
5   THRSERGLYLEUALAGLYARGPHEASPILE
6   ASPGLNGLYLEUALAILELEULEUALAGLY
7   THRGLYLEUGLUALASERARGGLYALAASN
8   ALASERTYRSERLEUGLNALASERALASER
9   THRGLY

Samples:

sample_1: PupB-NTSD, [U-15N], 1 mM; PupB-NTSD, [U-13C; U-15N], 0.5 mM; sodium phosphate 50 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_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

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

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

VNMR, Varian - collection

TALOS, Cornilescu, Delaglio and Bax - data analysis, geometry optimization

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Agilent DD2 800 MHz

Related Database Links:

UNP A0A084CH10

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