BMRB Entry 52089

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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/BMR52089
MolProbity Validation Chart

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Title:
Solution structure of the extreme C-terminus of the Bordetella pertussis filamentous hemagglutinin prodomain
Deposition date:
2023-08-21
Original release date:
2024-09-05
Authors:
Jurnecka, David; Chmelik, Josef; Bumba, Ladislav
Citation:

Citation: Jurnecka, David; Chmelik, Josef; Bumba, Ladislav. "Solution structure of the extreme C-terminus of the Bordetella pertussis filamentous hemagglutinin prodomain"  .

Assembly members:

Assembly members:
entity_1, polymer, 104 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Bordetella pertussis   Taxonomy ID: 520   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bordetella pertussis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GRHVVQQQVQVLQRQASDIN NTKSLPGGKLPKPVTVKLTD ENGKPQTYTINRREDLMKLN GKVLSTKTTLGLEQTFRLRV EDIGGKNYRVFYETNKLEHH HHHH

Data sets:
Data typeCount
13C chemical shifts464
15N chemical shifts104
1H chemical shifts734

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1FHA-ECT1

Entities:

Entity 1, FHA-ECT 104 residues - Formula weight is not available

1   GLYARGHISVALVALGLNGLNGLNVALGLN
2   VALLEUGLNARGGLNALASERASPILEASN
3   ASNTHRLYSSERLEUPROGLYGLYLYSLEU
4   PROLYSPROVALTHRVALLYSLEUTHRASP
5   GLUASNGLYLYSPROGLNTHRTYRTHRILE
6   ASNARGARGGLUASPLEUMETLYSLEUASN
7   GLYLYSVALLEUSERTHRLYSTHRTHRLEU
8   GLYLEUGLUGLNTHRPHEARGLEUARGVAL
9   GLUASPILEGLYGLYLYSASNTYRARGVAL
10   PHETYRGLUTHRASNLYSLEUGLUHISHIS
11   HISHISHISHIS

Samples:

sample_1: FHA-ECT, [U-100% 13C; U-100% 15N], 0.5 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; disodium phosphate 10 mM; monopotassium phosphate 1.8 mM; sodium azide 0.1%; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D (H)CC(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSY aromaticsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_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:

TOPSPIN v3.5.7 - collection

NMRPipe - processing

NMRFAM-SPARKY v1.2 - chemical shift assignment, peak picking

ARIA v2.3.2 - structure solution

RECOORD - refinement

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

Related Database Links:

UNP Q8VV99
NCBI CAD12824.1

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