BMRB Entry 18899

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18899

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for the bacterial toxin Doc
Deposition date:
2012-12-14
Original release date:
2013-10-16
Authors:
van Nuland, Nico; Loris, Remy; De Geiter, Steven; Garcia-Pino, Abel
Citation:

Citation: De Geiter, Steven; Loris, Remy; van Nuland, Nico; Garcia-Pino, Abel. "(1)H, (13)C, and (15)N backbone and side-chain chemical shift assignment of the toxin Doc in the unbound state"  Biomol. NMR Assignments ., .-. (2013).
PubMed: 23420131

Assembly members:

Assembly members:
Doc, polymer, 135 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Doc: MRHISPEELIALHDANISRY GGLPGMSDPGRAEAIIGRVQ ARVAYEEITDLFEVSATYLV ATARGHIFNDANKRTALNSA LLFLRRNGVQVFDSPELADL TVGAATGEISVSSVADTLRR LYGSADPLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts488
15N chemical shifts116
1H chemical shifts778

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Doc monomer1

Entities:

Entity 1, Doc monomer 135 residues - Formula weight is not available

1   METARGHISILESERPROGLUGLULEUILE
2   ALALEUHISASPALAASNILESERARGTYR
3   GLYGLYLEUPROGLYMETSERASPPROGLY
4   ARGALAGLUALAILEILEGLYARGVALGLN
5   ALAARGVALALATYRGLUGLUILETHRASP
6   LEUPHEGLUVALSERALATHRTYRLEUVAL
7   ALATHRALAARGGLYHISILEPHEASNASP
8   ALAASNLYSARGTHRALALEUASNSERALA
9   LEULEUPHELEUARGARGASNGLYVALGLN
10   VALPHEASPSERPROGLULEUALAASPLEU
11   THRVALGLYALAALATHRGLYGLUILESER
12   VALSERSERVALALAASPTHRLEUARGARG
13   LEUTYRGLYSERALAASPPROLEUGLUHIS
14   HISHISHISHISHIS

Samples:

sample_Doc: Doc, [U-98% 13C; U-98% 15N], 0.5 – 1.0 mM; NaCl 100 mM; phosphate buffer 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_Docisotropicsample_conditions_1
2D 1H-13C HSQCsample_Docisotropicsample_conditions_1
3D HNCOsample_Docisotropicsample_conditions_1
3D HNCACBsample_Docisotropicsample_conditions_1
3D CBCA(CO)NHsample_Docisotropicsample_conditions_1
3D HCCH-TOCSYsample_Docisotropicsample_conditions_1
3D HBHA(CO)NHsample_Docisotropicsample_conditions_1
3D 1H-15N NOESYsample_Docisotropicsample_conditions_1
3D 1H-13C NOESYsample_Docisotropicsample_conditions_1
3D HNCAsample_Docisotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNMR v2.2, CCPN - chemical shift assignment

NMR spectrometers:

  • Varian VNS 600 MHz
  • Varian VNS 800 MHz

Related Database Links:

PDB
DBJ BAI39306
EMBL CAA66833 CAP07826 CCP95093 CDK53024 CDK58535
GB AAA16931 AAQ07577 AAQ14075 AAQ14183 ADD63664
REF WP_001216030 WP_001216033 WP_001216034 WP_001216035 WP_001216038
SP Q06259
AlphaFold Q06259

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