BMRB Entry 17280

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17280
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution NMR Structure of BVU_3817 from , Northeast Structural Genomics Consortium Target BvR159
Deposition date:
2010-11-03
Original release date:
2010-11-15
Authors:
Mills, J.; Eletsky, A.; Lee, H.; Wang, D.; Ciccosanti, C.; Hamilton, K.; Acton, T.; Xiao, R.; Everett, J.; Prestegard, J.; Montelione, G.; Szyperski, T.
Citation:

Citation: Mills, J.; Eletsky, A.; Lee, H.; Wang, D.; Ciccosanti, C.; Hamilton, K.; Acton, T.; Xiao, R.; Everett, J.; Prestegard, J.; Montelione, G.; Szyperski, T.. "Northeast Structural Genomics Consortium Target BvR159"  To be published ., .-..

Assembly members:

Assembly members:
BvR159, polymer, 142 residues, 15895.376 Da.

Natural source:

Natural source:   Common Name: Bacteroides vulgatus   Taxonomy ID: 821   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacteroides vulgatus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BvR159: MLKTILSIAGKPGLYKLISQ GKNMLIVETVDAAKKRVPAY AHDKVISLADIAMYTDAEEV PLSEVLEAVKKKENGAVASI NYKKASADELHAYFAEVLPN YDRDRVHNGDIKKLISWYNI LVNNGITEFVEAPALEHHHH HH

Data sets:
Data typeCount
13C chemical shifts551
15N chemical shifts125
1H chemical shifts890

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BvR1591

Entities:

Entity 1, BvR159 142 residues - 15895.376 Da.

1   METLEULYSTHRILELEUSERILEALAGLY
2   LYSPROGLYLEUTYRLYSLEUILESERGLN
3   GLYLYSASNMETLEUILEVALGLUTHRVAL
4   ASPALAALALYSLYSARGVALPROALATYR
5   ALAHISASPLYSVALILESERLEUALAASP
6   ILEALAMETTYRTHRASPALAGLUGLUVAL
7   PROLEUSERGLUVALLEUGLUALAVALLYS
8   LYSLYSGLUASNGLYALAVALALASERILE
9   ASNTYRLYSLYSALASERALAASPGLULEU
10   HISALATYRPHEALAGLUVALLEUPROASN
11   TYRASPARGASPARGVALHISASNGLYASP
12   ILELYSLYSLEUILESERTRPTYRASNILE
13   LEUVALASNASNGLYILETHRGLUPHEVAL
14   GLUALAPROALALEUGLUHISHISHISHIS
15   HISHIS

Samples:

NC: BvR159, [U-98% 13C; U-98% 15N], 0.78 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; D2O 5%; H2O 95%

NC5: BvR159, [5% U-98% 13C; U-98% 15N], 0.66 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; D2O 5%; H2O 95%

NC5-RDC: BvR159, [5% U-98% 13C; U-98% 15N], 0.61 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; D2O 5%; H2O 95%; PAGE 7%

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNCisotropicsample_conditions_1
2D 1H-13C HSQCNCisotropicsample_conditions_1
3D HNCONCisotropicsample_conditions_1
3D CBCA(CO)NHNCisotropicsample_conditions_1
3D HNCACBNCisotropicsample_conditions_1
3D (H)CCH-COSYNCisotropicsample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESYNCisotropicsample_conditions_1
3D HBHA(CO)NHNCisotropicsample_conditions_1
3D HN(CA)CONCisotropicsample_conditions_1
2D 1H-13C HSQCNC5isotropicsample_conditions_1
2D 1H-15N HSQCNC5-RDCanisotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinemen, structure solution

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis

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

CARA, Keller et al. - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PALES, PALES (Zweckstetter, Bax) - geometry optimization

PROSA, Guntert - processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

PDB
EMBL CDF18897 CUO88664 CUQ05140 CUQ47765
GB ABR41428 AII63846 AII69760 ALA75532 ALK85904
REF WP_005841613 WP_007833211 WP_007844300 WP_008671167 WP_012055911

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