BMRB Entry 16523

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16523

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments and heteronuclear NOEs for pfColA
Deposition date:
2009-09-28
Original release date:
2009-12-03
Authors:
Ibanez de Opakua, Alain; Diercks, Tammo; Viguera, Ana Rosa; Blanco, Francisco
Citation:

Citation: Ibanez de Opakua, Alain; Diercks, Tammo; Viguera, Ana; Blanco, Francisco. "NMR assignment and backbone dynamics of the pore-forming domain of colicin A."  Biomol. NMR Assignments 4, 33-36 (2010).
PubMed: 19941091

Assembly members:

Assembly members:
pfColA, polymer, 206 residues, 22050 Da.

Natural source:

Natural source:   Common Name: Citrobacter freundii   Taxonomy ID: 546   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Citrobacter freundii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pBAT4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pfColA: MEVAEKAKDERELLEKTSEL IAGMGDKIGEHLGDKYKAIA KDIADNIKNFQGKTIRSFDD AMASLNKITANPAMKINKAD RDALVNAWKHVDAQDMANKL GNLSKAFKVADVVMKVEKVR EKSIEGYETGNWGPLMLEVE SWVLSGIASSVALGIFSATL GAYALSLGVPAIAVGIAGIL LAAVVGALIDDKFADALNNE IIRPAH

Data sets:
Data typeCount
13C chemical shifts576
15N chemical shifts207
1H chemical shifts429
heteronuclear NOE values191

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1pfColA monomer1

Entities:

Entity 1, pfColA monomer 206 residues - 22050 Da.

1   METGLUVALALAGLULYSALALYSASPGLU
2   ARGGLULEULEUGLULYSTHRSERGLULEU
3   ILEALAGLYMETGLYASPLYSILEGLYGLU
4   HISLEUGLYASPLYSTYRLYSALAILEALA
5   LYSASPILEALAASPASNILELYSASNPHE
6   GLNGLYLYSTHRILEARGSERPHEASPASP
7   ALAMETALASERLEUASNLYSILETHRALA
8   ASNPROALAMETLYSILEASNLYSALAASP
9   ARGASPALALEUVALASNALATRPLYSHIS
10   VALASPALAGLNASPMETALAASNLYSLEU
11   GLYASNLEUSERLYSALAPHELYSVALALA
12   ASPVALVALMETLYSVALGLULYSVALARG
13   GLULYSSERILEGLUGLYTYRGLUTHRGLY
14   ASNTRPGLYPROLEUMETLEUGLUVALGLU
15   SERTRPVALLEUSERGLYILEALASERSER
16   VALALALEUGLYILEPHESERALATHRLEU
17   GLYALATYRALALEUSERLEUGLYVALPRO
18   ALAILEALAVALGLYILEALAGLYILELEU
19   LEUALAALAVALVALGLYALALEUILEASP
20   ASPLYSPHEALAASPALALEUASNASNGLU
21   ILEILEARGPROALAHIS

Samples:

sample_1: pfColA, [U-100% 13C; U-100% 15N], 330 uM

sample_2: pfColA, [U-100% 15N], 1 mM

sample_conditions_1: pH: 4.5; 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 HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)HAsample_1isotropicsample_conditions_1
3D HN(COCA)HAsample_1isotropicsample_conditions_1
3D NNH-NOESYsample_1isotropicsample_conditions_1
2D 15N {1H} saturated NOEsample_2isotropicsample_conditions_1
2D 15N {1H} non-saturated NOEsample_2isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

SPARKY v3.113, Goddard - chemical shift assignment, chemical shift calculation, data analysis, peak picking

MARS v1.1.3, Markus Zweckstetter - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
EMBL CAA25503
GB AAA23592 AAA72879 AEB52312 EJF21491 EKU32045
PRF 1003181A
REF NP_040393 WP_008323639 WP_014164031 YP_004933729
SP P04480 Q47108
AlphaFold P04480 Q47108

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