BMRB Entry 16161

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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/BMR16161
MolProbity Validation Chart

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Title:
Solution NMR Structure of a domain from a Putative Phage Integrase Protein BF2284 from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR257C
Deposition date:
2009-02-06
Original release date:
2009-03-12
Authors:
Mills, Jeffrey; Sathyamoorthy, Bharathwaj; Sukumaran, Dinesh; Lee, Dan; Ciccosanti, Colleen; Jiang, Mei; Xiao, Rong; Acton, Thomas; Swapna, G. V. T.; Rost, Burkhard; Nair, R.; Everett, John; Montelione, Gaetano; Szyperski, Thomas
Citation:

Citation: Mills, Jeffrey; Sathyamoorthy, Bharathwaj; Sukumaran, Dinesh; Lee, Dan; Ciccosanti, Colleen; Jiang, Mei; Xiao, Rong; Acton, Thomas; Swapna, G. V. T.; Rost, Burkhard; Nair, R.; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of a domain from a Putative Phage Integrase Protein, BF2284, from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR257C"  .

Assembly members:

Assembly members:
BfR257C, polymer, 112 residues, 17378.928 Da.

Natural source:

Natural source:   Common Name: Bacteroides fragilis   Taxonomy ID: 817   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacteroides fragilis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BfR257C: MNNPSDFKSFHDFVASYMKT YSRRLEIGTFRHHKSCMRKF KEYCEGLQFHELTEDFLRDY LIYMKKTLCNADSTAQRNLS TIKIYVSAAIKKGYMENDPF KDFGLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts329
15N chemical shifts108
1H chemical shifts709

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BfR257C1

Entities:

Entity 1, BfR257C 112 residues - 17378.928 Da.

1   METASNASNPROSERASPPHELYSSERPHE
2   HISASPPHEVALALASERTYRMETLYSTHR
3   TYRSERARGARGLEUGLUILEGLYTHRPHE
4   ARGHISHISLYSSERCYSMETARGLYSPHE
5   LYSGLUTYRCYSGLUGLYLEUGLNPHEHIS
6   GLULEUTHRGLUASPPHELEUARGASPTYR
7   LEUILETYRMETLYSLYSTHRLEUCYSASN
8   ALAASPSERTHRALAGLNARGASNLEUSER
9   THRILELYSILETYRVALSERALAALAILE
10   LYSLYSGLYTYRMETGLUASNASPPROPHE
11   LYSASPPHEGLYLEUGLUHISHISHISHIS
12   HISHIS

Samples:

NC: BfR257C, [U-99% 13C; U-99% 15N], 1.05 mM; D2O, [U-2H], 10%; H2O 90%; DSS 50 uM; DTT 10 mM; sodium chloride 200 mM; sodium azide 0.02%; calcium chloride 5 mM; MES 20 mM

NC5: BfR257C, [U-5% 13C; U-99% 15N], 0.77 mM; D2O, [U-2H], 10%; H2O 90%; DSS 50 uM; DTT 10 mM; sodium chloride 200 mM; sodium azide 0.02%; calcium chloride 5 mM; MES 20 mM

sample_conditions_1: ionic strength: 430 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
(4,3)D GFT HNNCABCANCisotropicsample_conditions_1
(4,3)D GFT CABCA(CO)NHNNCisotropicsample_conditions_1
(4,3)D GFT HabCab(CO)NHNNCisotropicsample_conditions_1
(4,3)D GFT HCCHNCisotropicsample_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
EMBL CAH07978
GB EEZ27747 EXY13158 EXY18263 EXY22104 EXY84681
REF WP_008768751 WP_010992937 WP_032533231 WP_032570504 WP_032572291

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