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 15825

Title: Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A.

Authors: Hang, Dehua; Aramini, James; Rossi, Paolo; Wang, Dongyan; Jiang, Mei; Maglaqui, Melissa; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation: Rossi, Paolo; Aramini, James; Hang, Dehua; Xiao, Rong; Acton, Thomas; Montelione, Gaetano. "Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A"  Not known ., .-..

Assembly members:
PsR76A, polymer, 55 residues, 6340.105 Da.

Natural source:   Common Name: Pseudomonas syringae   Taxonomy ID: 317   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas syringae

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

Entity Sequences (FASTA):
PsR76A: MASPTVITLNDGREIQAVDT PKYDEESGFYEFKQLDGKQT RINKDQVRTVKDLLE

Data sets:
Data typeCount
13C chemical shifts246
15N chemical shifts59
1H chemical shifts390

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PsR76A1

Entities:

Entity 1, PsR76A 55 residues - 6340.105 Da.

truncated lipobox: MKQRTLPAAFLLALSIASLAGC M1 cloning artifact A2 is residue 23 in original sequence

1   METALASERPROTHRVALILETHRLEUASN
2   ASPGLYARGGLUILEGLNALAVALASPTHR
3   PROLYSTYRASPGLUGLUSERGLYPHETYR
4   GLUPHELYSGLNLEUASPGLYLYSGLNTHR
5   ARGILEASNLYSASPGLNVALARGTHRVAL
6   LYSASPLEULEUGLU

Samples:

sample_1: PsR76A, [U-100% 13C; U-100% 15N], 1.07 mM; DSS 50 uM; DTT 10 mM; sodium chloride 100 mM; sodium azide 0.02%; MES 20 mM; calcium chloride 5 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_2: PsR76A, [5% 13C; U-100% 15N], 1.07 mM; DSS 50 uM; DTT 10 mM; sodium chloride 100 mM; sodium azide 0.02%; MES 20 mM; calcium chloride 5 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (aliph)sample_1isotropicsample_conditions_1
2D 1H-13C HSQC CT AROsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D 1H-13C-15N SIM NOESYsample_1isotropicsample_conditions_1
N15-T1sample_1isotropicsample_conditions_1
N15-T2(CPMG)sample_1isotropicsample_conditions_1
3J NHHAsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D CC(CO)NH-TOCSYsample_1isotropicsample_conditions_1
2D 1H, 15N HETNOEsample_2isotropicsample_conditions_1
2D 1H-13C HSQC STEREOsample_2isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

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

TOPSPIN v2.1, Bruker Biospin - collection

SPARKY v3.113, Goddard - data analysis

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

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

RPF(AutoStructure) v2.2.1, Huang, Tejero, Powers and Montelione - validation

Molmol, Koradi, Billeter and Wuthrich - visualization

PSVS, Bhattacharya and Montelione - validation

PDBStat v5.0, Tejero R.; Montelione GT - validation

MolProbity, Richardson - validation

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - validation

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

SWS Q883K7_PSESM
PDB
GB AAZ36497 ALD96182 EFH99818 EFW80354 EFW84604
REF WP_002553129 WP_044343779 WP_054995082 WP_057446476