BMRB Entry 15823

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15823
MolProbity Validation Chart

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Title:
Solution NMR structure of protein Atu0742 from Agrobacterium Tumefaciens. Northeast Structural Genomics Consortium (NESG0) target AtT8. Ontario Center for Structural Proteomics target ATC0727.
Deposition date:
2008-06-24
Original release date:
2008-08-08
Authors:
Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Semesi, Antony; Arrowsmith, Cheryl
Citation:

Citation: Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Semesi, Antony; Arrowsmith, Cheryl. "Solution structure of protein ATC0727 from Agrobacterium Tumefaciens."  .

Assembly members:

Assembly members:
Atu0742, polymer, 123 residues, 14076.057 Da.

Natural source:

Natural source:   Common Name: Agrobacterium tumefaciens   Taxonomy ID: 358   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Agrobacterium tumefaciens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: p15Tv lic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Atu0742: MNSEIELPVQKQLEAYNARD IDAFMAWWADDCQYYAFPAT LLAGNAAEIRVRHIERFKEP DLYGELLTRVIVGNVVIDHE TVTRNFPEGKGEVDVACIYE VENGRIAKAWFKIGEPRIVS QKS

Data sets:
Data typeCount
13C chemical shifts512
15N chemical shifts124
1H chemical shifts851

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Atu07421

Entities:

Entity 1, Atu0742 123 residues - 14076.057 Da.

1   METASNSERGLUILEGLULEUPROVALGLN
2   LYSGLNLEUGLUALATYRASNALAARGASP
3   ILEASPALAPHEMETALATRPTRPALAASP
4   ASPCYSGLNTYRTYRALAPHEPROALATHR
5   LEULEUALAGLYASNALAALAGLUILEARG
6   VALARGHISILEGLUARGPHELYSGLUPRO
7   ASPLEUTYRGLYGLULEULEUTHRARGVAL
8   ILEVALGLYASNVALVALILEASPHISGLU
9   THRVALTHRARGASNPHEPROGLUGLYLYS
10   GLYGLUVALASPVALALACYSILETYRGLU
11   VALGLUASNGLYARGILEALALYSALATRP
12   PHELYSILEGLYGLUPROARGILEVALSER
13   GLNLYSSER

Samples:

sample_1: Atu0742, [U-13C; U-15N], 0.5 mM; mops 10 mM; potassium chloride 450 mM; ZnSO4 10 uM; DTT 10 mM; NaN3 0.01%; benzamidine 10 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 450 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C_arom NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - peak picking

FMC, Lemak, Steren, Arrowsmith,Llinas - chemical shift assignment

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

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

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AAK86550 EGL67187 KEY55144 KJX89270
REF NP_353765 WP_006309793 WP_010971114

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