BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15089

Title: Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65.   PubMed: TBA

Authors: Aramini, James; Cort, John; Chi, Ho; Kellie, Cunningham; Li-Chung, Ma; Rong, Xiao; Jinfeng, Liu; Micheal, Baran; Gurla, Swapna; Thomas, Acton; Burkhard, Rost; Gaetano, Montelione

Citation: Aramini, James; Cort, John; Chi, Ho; Kellie, Cunningham; Li-Chung, Ma; Rong, Xiao; Jinfeng, Liu; Micheal, Baran; Gurla, Swapna; Thomas, Acton; Burkhard, Rost; Montelione, Gaetano. "Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65."  . ., .-..

Assembly members:
StR65, polymer, 115 residues, 12949.884 Da.

Natural source:   Common Name: Salmonella typhimurium   Taxonomy ID: 602   Superkingdom: not available   Kingdom: Bacteria   Genus/species: not available Salmonella

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

Entity Sequences (FASTA):
StR65: MVNFKDKSMPTAIEKALDFI GGMNTSASVPHSMDESTAKG ILKYLHDLGVPVSPEVVVAR GEQEGWNPEFTKKVAGWAEK VASGNRILIKNPEYFSTYMQ EQLKELVLEHHHHHH

Data sets:
  • assigned_chemical_shifts
Data typeCount
13C chemical shifts483
15N chemical shifts108
1H chemical shifts768

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1StR651

Entities:

Entity 1, StR65 115 residues - 12949.884 Da.

Residues 108-115 represent a non-native affinity tag.

1   METVALASNPHELYSASPLYSSERMETPRO
2   THRALAILEGLULYSALALEUASPPHEILE
3   GLYGLYMETASNTHRSERALASERVALPRO
4   HISSERMETASPGLUSERTHRALALYSGLY
5   ILELEULYSTYRLEUHISASPLEUGLYVAL
6   PROVALSERPROGLUVALVALVALALAARG
7   GLYGLUGLNGLUGLYTRPASNPROGLUPHE
8   THRLYSLYSVALALAGLYTRPALAGLULYS
9   VALALASERGLYASNARGILELEUILELYS
10   ASNPROGLUTYRPHESERTHRTYRMETGLN
11   GLUGLNLEULYSGLULEUVALLEUGLUHIS
12   HISHISHISHISHIS

Samples:

sample_1: StR65, [U-100% 13C; U-100% 15N], 1.17 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; sodium azide 0.02%

sample_2: StR65, [U-5% 13C; U-100% 15N], 0.89 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D TR backbone exptssample_1isotropicsample_conditions_1
3D TR backbone exptssample_1isotropicsample_conditions_1
high resolution 2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

VNMR v6.1C, Varian - collection

xwinnmr vXWINNMR 3.5pl6, Bruker - collection

AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski, Montelione - chemical shift assignment

SPARKY v3.110, Goddard - data analysis, peak picking

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - refinement, structure solution

X-PLOR NIH v2.11.2, Schwieters, Kuszewski, Tjandra and Clore - refinement

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

PDBStat v4.1, Tejero and Montelione - data analysis

PSVS v1.3, Bhattacharya, Hang and Montelione - data analysis

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian INOVA 600 MHz
  • Bruker AMX 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
DBJ BAJ35334 BAP06087 GAL41201 GAL45758
EMBL CAR31896 CAR36239 CBG23406 CBW16422 CBY94375
GB AAL19281 AAX64278 ACF65524 ACN44523 ACY86903
REF NP_459322 WP_001141634 WP_001141635 WP_001141636 WP_001141637