BMRB Entry 16373

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16373
MolProbity Validation Chart

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Title:
Solution NMR structure of an integrase domain from protein SPA4288 from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR105H
Deposition date:
2009-06-29
Original release date:
2009-07-07
Authors:
Mills, Jeffrey; Wu, Yibing; Sukumaran, Dinesh; Belote, R.; Ciccosanti, Colleen; Jiang, Mei; Nair, R.; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Swapna, G.V.T.; Everett, John; Montelione, Gaetano; Szyperski, Thomas
Citation:

Citation: Mills, Jeffrey; Wu, Yibing; Sukumaran, Dinesh; Belote, R.; Ciccosanti, Colleen; Jiang, Mei; Nair, R.; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Swapna, G.V.T.; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR structure of an integrase domain from protein SPA4288 from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR105H"  .

Assembly members:

Assembly members:
SlR105H, polymer, 121 residues, 14140.7 Da.

Natural source:

Natural source:   Common Name: Salmonella enterica   Taxonomy ID: 28901   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Salmonella enterica

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET 21-23C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SlR105H: MENSGAYTFETIAREWHESN KRWSEDHRSRVLRYLELYIF PHIGSSDIRQLKTSHLLAPI KEVDTSGKHDVAQRLQQRVT AIMRYAVQNDYIDSNPASDM AGALSTTKARHYPLEHHHHH H

Data sets:
Data typeCount
13C chemical shifts379
15N chemical shifts118
1H chemical shifts797

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SlR105H1

Entities:

Entity 1, SlR105H 121 residues - 14140.7 Da.

S105 is a "strain variation" and should be noted as such.

1   METGLUASNSERGLYALATYRTHRPHEGLU
2   THRILEALAARGGLUTRPHISGLUSERASN
3   LYSARGTRPSERGLUASPHISARGSERARG
4   VALLEUARGTYRLEUGLULEUTYRILEPHE
5   PROHISILEGLYSERSERASPILEARGGLN
6   LEULYSTHRSERHISLEULEUALAPROILE
7   LYSGLUVALASPTHRSERGLYLYSHISASP
8   VALALAGLNARGLEUGLNGLNARGVALTHR
9   ALAILEMETARGTYRALAVALGLNASNASP
10   TYRILEASPSERASNPROALASERASPMET
11   ALAGLYALALEUSERTHRTHRLYSALAARG
12   HISTYRPROLEUGLUHISHISHISHISHIS
13   HIS

Samples:

NC: SlR105H, [U-99% 13C; U-99% 15N], 0.7 mM; D2O, [U-2H], 10%; H2O 90%; DSS 50 uM; DTT 10 mM; zinc sulfate 20 uM; sodium azide 0.02%; sodium chloride 450 mM; sodium phosphate 25 mM

NC5: SlR105H, [U-5% 13C; U-99% 15N], 0.7 mM; D2O, [U-2H], 10%; H2O 90%; DSS 50 uM; DTT 10 mM; zinc sulfate 20 uM; sodium azide 0.02%; sodium chloride 450 mM; sodium phosphate 25 mM

sample_conditions_1: ionic strength: 525 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNCisotropicsample_conditions_1
2D 1H-13C HSQCNCisotropicsample_conditions_1
3D HNNCONCisotropicsample_conditions_1
3D HNCACBNCisotropicsample_conditions_1
3D CBCA(CO)NHNCisotropicsample_conditions_1
3D HBHA(CO)NHNCisotropicsample_conditions_1
3D HCCH-TOCSYNCisotropicsample_conditions_1
3D simultaneous NCaliCaro HH NOESYNCisotropicsample_conditions_1
2D 1H-13C HSQCNC5isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

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

XEASY, Bartels et al. - data analysis

SPSCAN, Glaser - processing

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

CSI, Wishart and Sykes - structure solution

TALOS, Cornilescu, Delaglio and Bax - structure solution

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

Molmol, Koradi, Billeter and Wuthrich - data analysis

PSVS, Bhattacharya and Montelione - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

PDB
DBJ GAL49860
EMBL CAD06943 CAR62273 CCK12974 CCM85007 CCM90255
GB AAO71963 AAV80021 AEW59238 AGK70023 AGQ60443
PIR AB1062
REF NP_458899 WP_000772665 WP_000772670 WP_000772671 WP_000772672

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks