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Biological Magnetic Resonance Data Bank


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BMRB Entry 15090

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15090
MolProbity Validation Chart

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Title: Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109

Deposition date: 2006-12-31 Original release date: 2007-03-06

Authors: Eletsky, Alexander; Parish, David; Liu, Gaohua; Sukumaran, Dinesh; Jiang, Mei; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas

Citation: Eletsky, Alexander; Parish, David; Liu, Gaohua; Sukumaran, Dinesh; Jiang, Mei; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109"  . ., .-..

Assembly members:
StR109_subunit, polymer, 104 residues, 22764.002 Da.

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

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

Entity Sequences (FASTA):
StR109_subunit: MKKRIIAAALLATVASFSTL AAEQVSKQEISHFKLVKVGT INVSQSGGQISSPSDLREKL SELADAKGGKYYHIIAAREH GPNFEAVAEVYNDATKLEHH HHHH

Data sets:
Data typeCount
13C chemical shifts326
15N chemical shifts86
1H chemical shifts540

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1StR109 chain A1
2StR109 chain B1

Entities:

Entity 1, StR109 chain A 104 residues - 22764.002 Da.

C-terminal His-tag LEHHHHHH

1   METLYSLYSARGILEILEALAALAALALEU
2   LEUALATHRVALALASERPHESERTHRLEU
3   ALAALAGLUGLNVALSERLYSGLNGLUILE
4   SERHISPHELYSLEUVALLYSVALGLYTHR
5   ILEASNVALSERGLNSERGLYGLYGLNILE
6   SERSERPROSERASPLEUARGGLULYSLEU
7   SERGLULEUALAASPALALYSGLYGLYLYS
8   TYRTYRHISILEILEALAALAARGGLUHIS
9   GLYPROASNPHEGLUALAVALALAGLUVAL
10   TYRASNASPALATHRLYSLEUGLUHISHIS
11   HISHISHISHIS

Samples:

NC: StR109 subunit, [U-100% 13C; U-100% 15N], 1.38 mM; sodium chloride 100 mM; DTT 100 mM; CaCl2 5 mM; MES 20 mM; sodium azide 0.02%

NC5: StR109 subunit, [U-5% 13C; U-100% 15N], 1.8 mM; sodium chloride 100 mM; DTT 100 mM; CaCl2 5 mM; MES 20 mM; sodium azide 0.02%

mix: StR109 subunit, [U-100% 13C; U-100% 15N], 1.2 mM; StR109 subunit 1.2 mM; sodium chloride 100 mM; DTT 100 mM; CaCl2 5 mM; MES 20 mM; sodium azide 0.02%

sample_conditions: ionic strength: 115 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNCisotropicsample_conditions
2D 1H-13C HSQC aliNCisotropicsample_conditions
2D 1H-13C ct-HSQC aliNCisotropicsample_conditions
2D 1H-13C HSQC aroNCisotropicsample_conditions
2D 1H-13C ct-HSQC aroNCisotropicsample_conditions
3D HNCONCisotropicsample_conditions
GFT (4,3)D CABCA(CO)NHNNCisotropicsample_conditions
GFT (4,3)D HNNCABCANCisotropicsample_conditions
GFT (4,3)D HABCAB(CO)NHNNCisotropicsample_conditions
GFT (4,3)D HCCH-COSY aliNCisotropicsample_conditions
GFT (4,3)D HCCH-COSY aroNCisotropicsample_conditions
3D 1H-13C/15N simNOESYNCisotropicsample_conditions
3D 1H-13C X-filtered NOESYmixisotropicsample_conditions
2D 1H-13C 28ms ct-HSQCNC5isotropicsample_conditions
2D 1H-13C 56ms ct-HSQCNC5isotropicsample_conditions

Software:

CYANA v2.1, P.GUNTERT ET AL. - refinement, structure solution

VNMR v6.1C, Varian - collection

XEASY v1.3.13, Bartels et al. - data analysis

AutoAssign v1.15.1, Zimmerman, Moseley, Kulikowski, Montelione - chemical shift assignment

CARA v1.5.5, Keller et al. - data analysis

PROSA v6.0.2, Guntert - processing

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

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

UNP Q7CR88
PDB
DBJ BAJ35027 BAP05781
EMBL CAD01236 CAR31672 CAR35992 CAR58190 CBG23101
GB AAL19046 AAO67816 AAV76117 AAX63983 ABX65546
PIR AD0512
REF NP_454692 NP_459087 WP_000710533 WP_000745956 WP_000745957

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