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 15762

Title: NMR Structure of Protein yiiS from Shigella flexneri: Northeast Structural Genomics Consortium Target SfR90

Authors: Mills, Jeffrey; Singarapu, Kiran Kumar; Eletski, Alex; Sukumaran, Dinesh; Wang, Dongyang; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas

Citation: Mills, Jeffrey; Singarapu, Kiran Kumar; Eletski, Alex; Sukumaran, Dinesh; Wang, Dongyang; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G. V. T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas. "NMR STRUCTURE OF PROTEIN YIIS FROM SHIGELLA FLEXNERI: NORTHEAST STRUCTURAL GENOMICS TARGET SFR90"  Not known ., .-..

Assembly members:
SfR90, polymer, 109 residues, 12030.683 Da.

Natural source:   Common Name: Shigella flexneri   Taxonomy ID: 623   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Shigella flexneri

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

Entity Sequences (FASTA):
SfR90: MAMKDVVDKCSTKGCAIDIG TVIDNDNCTSKFSRFFATRE EAESFMTKLKELAAAASSAD EGASVAYKIKDLEGQVELDA AFTFSCQAEMIIFELSLRSL ALEHHHHHH

Data sets:
Data typeCount
13C chemical shifts417
15N chemical shifts105
1H chemical shifts683

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SfR901

Entities:

Entity 1, SfR90 109 residues - 12030.683 Da.

1   METALAMETLYSASPVALVALASPLYSCYS
2   SERTHRLYSGLYCYSALAILEASPILEGLY
3   THRVALILEASPASNASPASNCYSTHRSER
4   LYSPHESERARGPHEPHEALATHRARGGLU
5   GLUALAGLUSERPHEMETTHRLYSLEULYS
6   GLULEUALAALAALAALASERSERALAASP
7   GLUGLYALASERVALALATYRLYSILELYS
8   ASPLEUGLUGLYGLNVALGLULEUASPALA
9   ALAPHETHRPHESERCYSGLNALAGLUMET
10   ILEILEPHEGLULEUSERLEUARGSERLEU
11   ALALEUGLUHISHISHISHISHISHIS

Samples:

sample_1: SfR90, [U-100% 13C; U-100% 15N], 1.1 mM; DSS 50 uM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM

sample_2: SfR90, [U-5% 13C; U-100% 15N], 1.02 mM; DSS 50 uM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
4,3 D GFT HNNACBCAsample_1isotropicsample_conditions_1
4,3 D GFT CABCACONHNsample_1isotropicsample_conditions_1
4,3D HABCABCONHNsample_1isotropicsample_conditions_1
4,3D GFT HCCH COSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D SimNOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

XEASY, Bartels et al. - chemical shift assignment, data analysis

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

VNMRJ, Varian - collection

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

AutoStruct, Huang, Tejero, Powers and Montelione - structure solution

PSVS, Bhattacharya and Montelione - structure solution

TALOS, Cornilescu, Delaglio and Bax - structure solution

NMR spectrometers:

  • Varian INOVA 750 MHz

Related Database Links:

PDB
DBJ BAB38270 BAE77388 BAG79735 BAI27828 BAI33302
EMBL CAP78379 CAQ34273 CAR00898 CAR05552 CAR10594
GB AAB03054 AAC76904 AAG59115 AAN45433 AAN83302
REF NP_312874 NP_418357 NP_709726 WP_000655983 WP_000655984
SP P32162