BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 5845

Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR5845

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Title: Backbone and side chain 1H, 13C, and 15N chemical shift assignments for S. aureus protein MW2441 / SACOL2532. Northeast Structural Genomics Target ZR31.

Deposition date: 2003-06-25 Original release date: 2004-10-10

Authors: Cort, John; Acton, Thomas; Ma, Li-Chung; Xiao, Rong; Montelione, Gaetano; Kennedy, Michael

Citation: Cort, John; Acton, Thomas; Ma, Li-Chung; Xiao, Rong; Montelione, Gaetano; Kennedy, Michael. "Backbone and side chain 1H, 13C, and 15N chemical shift assignments for S. aureus protein MW2441 / SACOL2532. Northeast Structural Genomics Target ZR31."  The BMRB entry is the only known published source for the data..

Assembly members:
MW2441, polymer, 102 residues, 11613 Da.

Natural source:   Common Name: S. aureus   Taxonomy ID: 1280   Superkingdom: Eubacteria   Kingdom: Fungi   Genus/species: Staphylococcus aureus

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

Entity Sequences (FASTA):
MW2441: MSNLEIKQGENKFYIGDDEN NALAEITYRFVDNNEINIDH TGVSDELGGQGVGKKLLKAV VEHARENNLKIIASCSFAKH MLEKEDSYQDVYLGLEHHHH HH

Data sets:
Data typeCount
1H chemical shifts656
13C chemical shifts417
15N chemical shifts110
coupling constants65

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MW24411

Entities:

Entity 1, MW2441 102 residues - 11613 Da.

1   METSERASNLEUGLUILELYSGLNGLYGLU
2   ASNLYSPHETYRILEGLYASPASPGLUASN
3   ASNALALEUALAGLUILETHRTYRARGPHE
4   VALASPASNASNGLUILEASNILEASPHIS
5   THRGLYVALSERASPGLULEUGLYGLYGLN
6   GLYVALGLYLYSLYSLEULEULYSALAVAL
7   VALGLUHISALAARGGLUASNASNLEULYS
8   ILEILEALASERCYSSERPHEALALYSHIS
9   METLEUGLULYSGLUASPSERTYRGLNASP
10   VALTYRLEUGLYLEUGLUHISHISHISHIS
11   HISHIS

Samples:

sample_1: MW2441, [U-13C; U-15N], 1 mM; MES 20 mM; NaCl 100 mM; DTT 5 mM; CaCl2 5 mM; NaN3 0.02 w/v %; D2O 5 v/v %

sample_2: MW2441, [U-5% C13; U-99% N15], 0.4 mM; MES 20 mM; NaCl 100 mM; DTT 10 mM; CaCl2 5 mM; NaN3 0.02 w/v %; D2O 5 v/v %

sample_3: MW2441, [U-13C; U-15N], 1 mM; MES 20 mM; NaCl 100 mM; DTT 10 mM; CaCl2 5 mM; NaN3 0.02 w/v %; D2O 99 v/v %

Ex-cond_1: pH: 6.5; temperature: 293 K; ionic strength: 0.12 mM

Experiments:

NameSampleSample stateSample conditions
15N-HSQCnot availablenot availableEx-cond_1
13C-HSQC (aliph)not availablenot availableEx-cond_1
HNCACBnot availablenot availableEx-cond_1
CBCA(CO)NHnot availablenot availableEx-cond_1
HNCOnot availablenot availableEx-cond_1
HCCH-TOCSYnot availablenot availableEx-cond_1
HCCH-COSYnot availablenot availableEx-cond_1
HCC-TOCSY-NNHnot availablenot availableEx-cond_1
CCC-TOCSY-NNHnot availablenot availableEx-cond_1
HBCBCGCDHD-Aronot availablenot availableEx-cond_1
HBCBCGCDCEHE-Aronot availablenot availableEx-cond_1
13C-HSQC (arom)not availablenot availableEx-cond_1
13C-HSQC (alpha)not availablenot availableEx-cond_1
HNHAnot availablenot availableEx-cond_1

Software:

Felix v97 - data processing

NMR spectrometers:

  • INOVA Varian 600 MHz

Related Database Links:

PDB
DBJ BAB43612 BAB58683 BAF68691 BAF79388
EMBL CBI50506 CBX35702 CCW22842 CDP41544 CDP44508
GB AAW37309 ABD21008 ABD31829 ABQ50321 ABR53419
REF NP_373045 NP_375633 WP_000067113 WP_000067115 WP_000067116

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