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Biological Magnetic Resonance Data Bank


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BMRB Entry 6743

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6743
MolProbity Validation Chart

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Title: 1H, 13C, 15N Chemical Shift Assignments for CcdA Conformer a, b, and c   PubMed: 17007877

Deposition date: 2005-07-22 Original release date: 2006-10-19

Authors: Madl, Tobias; VanMelderen, Laurence; Oberer, Monika; Keller, Walter; Khatai, Leila; Zangger, Klaus

Citation: Madl, Tobias; VanMelderen, Laurence; Mine, N.; Respondek, M.; Oberer, Monika; Keller, Walter; Khatai, Leila; Zangger, Klaus. "Structural Basis for Nucleic Acid and Toxin Recognition of the Bacterial Antitoxin CcdA"  J. Mol. Biol. ., .-. (2006).

Assembly members:
CcdA conformer, polymer, 72 residues, Formula weight is not available

Natural source:   Common Name: Escherichia coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: Not applicable   Genus/species: Escherichia coli

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
CcdA conformer: MKQRITVTVDSDSYQLLKAY DVNISGLVSTTMQNEARRLR AERWKVENQEGMVEVARFIE MNGSFADENKDW

Data sets:
Data typeCount
13C chemical shifts647
15N chemical shifts177
1H chemical shifts1055

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CcdA conformer a, chain 11
2CcdA conformer a, chain 21
3CcdA conformer b, chain 11
4CcdA conformer b, chain 21
5CcdA conformer c, chain 11
6CcdA conformer c, chain 21

Entities:

Entity 1, CcdA conformer a, chain 1 72 residues - Formula weight is not available

1   METLYSGLNARGILETHRVALTHRVALASP
2   SERASPSERTYRGLNLEULEULYSALATYR
3   ASPVALASNILESERGLYLEUVALSERTHR
4   THRMETGLNASNGLUALAARGARGLEUARG
5   ALAGLUARGTRPLYSVALGLUASNGLNGLU
6   GLYMETVALGLUVALALAARGPHEILEGLU
7   METASNGLYSERPHEALAASPGLUASNLYS
8   ASPTRP

Samples:

sample_1: CcdA conformer a, chain 1, [U-95% 13C; U-90% 15N], 0.5 mM; CcdA conformer a, chain 2, [U-95% 13C; U-90% 15N], 0.5 mM; CcdA conformer b, chain 1, [U-95% 13C; U-90% 15N], 0.5 mM; CcdA conformer b, chain 2, [U-95% 13C; U-90% 15N], 0.5 mM; CcdA conformer C, chain 1, [U-95% 13C; U-90% 15N], 0.5 mM; CcdA conformer C, chain 2, [U-95% 13C; U-90% 15N], 0.5 mM; phosphate 20 mM

conditions_1: pH: 7.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1not availableconditions_1
3D HNCACBsample_1not availableconditions_1
3D HNCAsample_1not availableconditions_1
3D HN(CO)CAsample_1not availableconditions_1
3D HN(CA)COsample_1not availableconditions_1
3D HNHAsample_1not availableconditions_1
3D HNCOsample_1not availableconditions_1
15N-edited TOCSY-HSQCsample_1not availableconditions_1
3D HCCH-TOCSYsample_1not availableconditions_1
3D HCCH-TOCSY-NNHsample_1not availableconditions_1
3D CCH-TOCSY-NNHsample_1not availableconditions_1
15N-edited 3D NOESY-HSQCsample_1not availableconditions_1
13C-edited 3D NOESY-HSQCsample_1not availableconditions_1
15N,13C-edited, 15N,13C-filtered NOESY-HSQCsample_1not availableconditions_1

Software:

No software information available

NMR spectrometers:

  • Varian Inova 600 MHz

Related Database Links:

PDB
DBJ BAA84908
EMBL CAQ87273 CAS07543
GB ABG29600 EDX27972 EFR18484 EGI89156 EHU03747
REF NP_053135 WP_000813637 WP_001541935 WP_004989170 YP_001965472

Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone or all simulated shifts