BMRB Entry 19461

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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/BMR19461
MolProbity Validation Chart

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Title:
HlyII-C major cis form
Deposition date:
2013-08-28
Original release date:
2014-02-12
Authors:
Kaplan, Anne; Maciejewski, Mark; Olson, Rich; Alexandrescu, Andrei
Citation:

Citation: Kaplan, Anne; Maciejewski, Mark; Olson, Rich; Alexandrescu, Andrei. "NMR assignments for the cis and trans forms of the hemolysin II C-terminal domain."  Biomol. NMR Assignments 8, 419-423 (2013).
PubMed: 24234348

Assembly members:

Assembly members:
HlyIIC-cis_(major), polymer, 94 residues, 10415.6 Da.

Natural source:

Natural source:   Common Name: Bacillus cereus   Taxonomy ID: 1396   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus cereus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HlyIIC-cis_(major): DNQKALEEQMNSINSVNDKL NKGKGKLSLSMNGNQLKATS SNAGYGISYEDKNWGIFVNG EKVYTFNEKSTVGNISNDIN KLNIKGPYIEIKQI

Data sets:
Data typeCount
13C chemical shifts371
15N chemical shifts113
1H chemical shifts639

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1HlyIIC-Cis major1

Entities:

Entity 1, HlyIIC-Cis major 94 residues - 10415.6 Da.

1   ASPASNGLNLYSALALEUGLUGLUGLNMET
2   ASNSERILEASNSERVALASNASPLYSLEU
3   ASNLYSGLYLYSGLYLYSLEUSERLEUSER
4   METASNGLYASNGLNLEULYSALATHRSER
5   SERASNALAGLYTYRGLYILESERTYRGLU
6   ASPLYSASNTRPGLYILEPHEVALASNGLY
7   GLULYSVALTYRTHRPHEASNGLULYSSER
8   THRVALGLYASNILESERASNASPILEASN
9   LYSLEUASNILELYSGLYPROTYRILEGLU
10   ILELYSGLNILE

Samples:

sample_1: HlyIIC-cis, [U-99% 13C; U-99% 15N], 1.0 mM; sodium phosphate 20 mM; EDTA 1 mM; AEBSF 1 mM; sodium azide 0.05 % w/v

sample_2: HlyIIC-cis, [U-99% 15N], 1.0 mM; sodium phosphate 20 mM; EDTA 1 mM; AEBSF 1 mM; sodium azide 0.05 % w/v

sample_3: HlyIIC-cis, [U-99% 15N], 1.0 mM; sodium phosphate 20 mM; EDTA 1 mM; AEBSF 1 mM; sodium azide 0.05 % w/v

sample_4: HlyIIC-cis, [U-99% 13C; U-99% 15N], 1.0 mM; sodium phosphate 20 mM; EDTA 1 mM; AEBSF 1 mM; sodium azide 0.05 % w/v

sample_conditions_1: ionic strength: 0 M; pH: 6.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_4isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_4isotropicsample_conditions_1
3D CCH-TOCSYsample_4isotropicsample_conditions_1
3D HNHAsample_2isotropicsample_conditions_1
3D HNHBsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_4isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

ANALYSIS v2.1, CCPN -

DANGLE v1.1 -

FELIX, Accelrys Software Inc. - processing

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz

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