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Biological Magnetic Resonance Data Bank


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BMRB Entry 18250

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18250
MolProbity Validation Chart

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Title: NMR STRUCTURE of Bcl-XL   PubMed: 22515821

Deposition date: 2012-02-09 Original release date: 2012-03-12

Authors: Wysoczanski, Piotr; Mart, Robert; Loveridge, Joel; Williams, Christopher; Whittaker, Sarah; Crump, Matthew; Allemann, Rudolf

Citation: Wysoczanski, Piotr; Mart, Robert; Loveridge, E. Joel; Williams, Christopher; Whittaker, Sara B-M; Crump, Matthew; Allemann, Rudolf. "NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L)."  J. Am. Chem. Soc. 134, 7644-7647 (2012).

Assembly members:
BCL-XL, polymer, 185 residues, 21455.721 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: ESCHERICHIA COLI BL21(DE3)

Entity Sequences (FASTA):
BCL-XL: MSQSNRELVVDFLSYKLSQK GYSWSQFSDVEENRTEAPEG TESEAVKQALREAGDEFELR YRRAFSDLTSQLHITPGTAY QSFEQVVNELFRDGVNWGRI VAFFSFGGALCVESVDKEMQ VLVSRIAAWMATYLNDHLEP WIQENGGWDTFVELYGNNAA AESRKGQERLEHHHHHHLEH HHHHH

Data sets:
Data typeCount
13C chemical shifts734
15N chemical shifts183
1H chemical shifts1116

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1BCL-XL1

Entities:

Entity 1, BCL-XL 185 residues - 21455.721 Da.

1   METSERGLNSERASNARGGLULEUVALVAL
2   ASPPHELEUSERTYRLYSLEUSERGLNLYS
3   GLYTYRSERTRPSERGLNPHESERASPVAL
4   GLUGLUASNARGTHRGLUALAPROGLUGLY
5   THRGLUSERGLUALAVALLYSGLNALALEU
6   ARGGLUALAGLYASPGLUPHEGLULEUARG
7   TYRARGARGALAPHESERASPLEUTHRSER
8   GLNLEUHISILETHRPROGLYTHRALATYR
9   GLNSERPHEGLUGLNVALVALASNGLULEU
10   PHEARGASPGLYVALASNTRPGLYARGILE
11   VALALAPHEPHESERPHEGLYGLYALALEU
12   CYSVALGLUSERVALASPLYSGLUMETGLN
13   VALLEUVALSERARGILEALAALATRPMET
14   ALATHRTYRLEUASNASPHISLEUGLUPRO
15   TRPILEGLNGLUASNGLYGLYTRPASPTHR
16   PHEVALGLULEUTYRGLYASNASNALAALA
17   ALAGLUSERARGLYSGLYGLNGLUARGLEU
18   GLUHISHISHISHISHISHISLEUGLUHIS
19   HISHISHISHISHIS

Samples:

sample: BCL-XL, [U-98% 13C; U-98% 15N], 1.5 – 1.7 mM; sodium phosphate 5 mM; 2-mercaptoethanol 5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 5 mM; pH: 7.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsampleisotropicsample_conditions_1
2D 1H-13C HSQCsampleisotropicsample_conditions_1
3D CBCA(CO)NHsampleisotropicsample_conditions_1
3D C(CO)NHsampleisotropicsample_conditions_1
3D HNCOsampleisotropicsample_conditions_1
3D HNCAsampleisotropicsample_conditions_1
3D HNCACBsampleisotropicsample_conditions_1
3D HN(CO)CAsampleisotropicsample_conditions_1
3D H(CCO)NHsampleisotropicsample_conditions_1
3D HCCH-TOCSYsampleisotropicsample_conditions_1
3D 1H-15N NOESYsampleisotropicsample_conditions_1
3D 1H-15N TOCSYsampleisotropicsample_conditions_1
3D 1H-13C NOESYsampleisotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

ARIA v2.3, Linge, O, . - refinement, structure solution, refinment

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

NMR spectrometers:

  • VARIAN INOVA 600 MHZ MHz

Related Database Links:

BMRB 18238 18792 18793
PDB
DBJ BAE87681

Download simulated HSQC data in one of the following formats:
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