BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 7260

Title: Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. (CASP Target)

Deposition date: 2006-08-10 Original release date: 2007-02-01

Authors: Rossi, P.; Cort, J.; Ho, C.; Janjua, H.; Cunningham, K.; Ma, L.-C.; Xiao, R.; Liu, J.; Baran, M.; Swapna, G.; Acton, T.; Rost, B.; Kennedy, M.; Montelione, G.

Citation: Rossi, P.; Cort, J.; Ho, C.; Janjua, H.; Cunningham, K.; Ma, L.-C.; Xiao, R.; Liu, J.; Baran, M.; Swapna, G.; Acton, T.; Rost, B.; Kennedy, M.; Montelione, G.. "Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. (CASP Target)"  . ., .-..

Assembly members:
YjcQ protein, polymer, 102 residues, Formula weight is not available

Natural source:   Common Name: Bacillus subtilis   Taxonomy ID: 1423   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Bacillus subtilis

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

Entity Sequences (FASTA):
YjcQ protein: MNKDKLRYAILKEIFEGNTP LSENDIGVTEDQFDDAVNFL KREGYIIGVHYSDDRPHLYK LGPELTEKGENYLKENGTWS KAYKTIKEIKDWIKLEHHHH HH

Data sets:
Data typeCount
13C chemical shifts368
15N chemical shifts89
1H chemical shifts567

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1YjcQ protein1

Entities:

Entity 1, YjcQ protein 102 residues - Formula weight is not available

1   METASNLYSASPLYSLEUARGTYRALAILE
2   LEULYSGLUILEPHEGLUGLYASNTHRPRO
3   LEUSERGLUASNASPILEGLYVALTHRGLU
4   ASPGLNPHEASPASPALAVALASNPHELEU
5   LYSARGGLUGLYTYRILEILEGLYVALHIS
6   TYRSERASPASPARGPROHISLEUTYRLYS
7   LEUGLYPROGLULEUTHRGLULYSGLYGLU
8   ASNTYRLEULYSGLUASNGLYTHRTRPSER
9   LYSALATYRLYSTHRILELYSGLUILELYS
10   ASPTRPILELYSLEUGLUHISHISHISHIS
11   HISHIS

Samples:

sample_1: YjcQ protein, [U-13C; U-15N], 0.85 mM; CaCl2 5 mM; NaCl 100 mM; NH4OAc 20 mM; DTT 10 mM; NaN3 0.02%; D2O 5%; H2O 95%

sample_2: YjcQ protein, [U-5% 13C; U-15N], 0.77 mM; CaCl2 5 mM; NaCl 100 mM; NH4OAc 20 mM; DTT 10 mM; NaN3 0.02%; D2O 5%; H2O 95%

sample_cond_1: ionic strength: 0.1 M; pH: 5.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
3D 13C-separated NOESYnot availablenot availablenot available
3D 15N-separated NOESYnot availablenot availablenot available
HcCH-TOCSYnot availablenot availablenot available
HcCH-COSYnot availablenot availablenot available
CccoNH-TOCSYnot availablenot availablenot available
3D-HNCACBnot availablenot availablenot available
HNcoCACBnot availablenot availablenot available
HBHAcoNHnot availablenot availablenot available
HNCOnot availablenot availablenot available
13C HSQC noct Stereospecific VL Me assign.not availablenot availablenot available
Het-NOEnot availablenot availablenot available
T1/T1rhonot availablenot availablenot available

Software:

VNMR v6.1C - collection

xwinnmr v3.5 - collection

DYANA v1.2 - structure solution

X-PLOR v2.11.2 - refinement

NMRPipe v2005 - processing

SPARKY v3.11 - data analysis

AutoAssign v2.2.1 - data analysis

AutoStruct v2.1.1 - structure solution

HYPER v2.1 - structure solution

PDBStat v4.1 - data analysis

PSVS v1.3 - refinement

Procheck NMR v3.51 - refinement

MolProbity v3.01 - refinement

NMR spectrometers:

  • Varian INOVA 750 MHz

Related Database Links:

PDB
DBJ BAM50120 BAM57388
EMBL CAB13052 CEI56338 CEJ76761
GB AFQ57114 AGG60550 AHA77184 AIC39588 AIC43820
REF NP_389077 WP_003245536 WP_014906298 WP_024572461 WP_026699368
SP O31639

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