BMRB Entry 15347

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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/BMR15347
MolProbity Validation Chart

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Title:
Chemical Shift Assignments for protein NE0084 from Nitrosomonas europea: Northeast Structural Genomics Target NeT6
Deposition date:
2007-06-29
Original release date:
2007-07-25
Authors:
Cort, John; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael
Citation:

Citation: Cort, John; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael. "Chemical Shift Assignments of protein NE0084 from Nitrosomonas europea: Northeast Structural Genomics Consortium Target NeT6"  .

Assembly members:

Assembly members:
NE0084, polymer, 99 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Nitrosomonas europaea   Taxonomy ID: 915   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Nitrosomonas europea

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: p11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NE0084: MGSSHHHHHHGRENLYFQGH MVASKAIFYHAGCPVCVSAE QAVANAIDPSKYTVEIVHLG TDKARIAEAEKAGVKSVPAL VIDGAAFHINFGAGIDDLK

Data sets:
Data typeCount
13C chemical shifts323
15N chemical shifts83
1H chemical shifts517

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NE00841

Entities:

Entity 1, NE0084 99 residues - Formula weight is not available

Residue 1 is mutated from M to V, due to a cloning arifact.

1   METGLYSERSERHISHISHISHISHISHIS
2   GLYARGGLUASNLEUTYRPHEGLNGLYHIS
3   METVALALASERLYSALAILEPHETYRHIS
4   ALAGLYCYSPROVALCYSVALSERALAGLU
5   GLNALAVALALAASNALAILEASPPROSER
6   LYSTYRTHRVALGLUILEVALHISLEUGLY
7   THRASPLYSALAARGILEALAGLUALAGLU
8   LYSALAGLYVALLYSSERVALPROALALEU
9   VALILEASPGLYALAALAPHEHISILEASN
10   PHEGLYALAGLYILEASPASPLEULYS

Samples:

sample_1: NE0084, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; D2O 7%; sodium chloride 300 mM; Tris 10 mM; DTT 10 mM

sample_2: NE0084, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; D2O 100%; sodium chloride 300 mM; Tris 10 mM; DTT 10 mM

sample_3: NE0084, [7% 13C; U-100% 15N], 1 ± 0.1 mM; D2O 7%; sodium chloride 300 mM; Tris 10 mM; DTT 10 mM

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
4D 1H-C13-C13-1H HMQC-NOESYsample_2isotropicsample_conditions_1

Software:

SPARKY, Goddard - data analysis, peak picking

VNMR, Varian - collection

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, structure solution

X-PLOR NIH v97, Schwieters, Kuszewski, Tjandra and Clore - structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
EMBL CAD83995
REF WP_011110736

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