BMRB Entry 30150

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30150
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of a Bcl-xL S62E mutant
Deposition date:
2016-07-29
Original release date:
2017-08-04
Authors:
Follis, A.; Kriwacki, R.
Citation:

Citation: Follis, Ariele Viacava; Llambi, Fabien; Kalkavan, Halime; Yao, Yong; Phillips, Aaron; Park, Cheon-Gil; Marassi, Francesca; Green, Douglas; Kriwacki, Richard. "Regulation of apoptosis by an intrinsically disordered region of Bcl-xL"  Nat. Chem. Biol. 14, 458-465 (2018).
PubMed: 29507390

Assembly members:

Assembly members:
entity_1, polymer, 212 residues, 23711.982 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GHSMSQSNRELVVDFLSYKL SQKGYSWSQFSDVEENRTEA PEGTESEMETPSAINGNPSW HLADEPAVNGATGHSSSLDA REVIPMAAVKQALREAGDEF ELRYRRAFSDLTSQLHITPG TAYQSFEQVVNELFRDGVNW GRIVAFFSFGGALCVESVDK EMQVLVSRIAAWMATYLNDH LEPWIQENGGWDTFVELYGN NAAAESRKGQER

Data typeCount
13C chemical shifts647
15N chemical shifts209
1H chemical shifts1281

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 212 residues - 23711.982 Da.

1   GLYHISSERMETSERGLNSERASNARGGLU
2   LEUVALVALASPPHELEUSERTYRLYSLEU
3   SERGLNLYSGLYTYRSERTRPSERGLNPHE
4   SERASPVALGLUGLUASNARGTHRGLUALA
5   PROGLUGLYTHRGLUSERGLUMETGLUTHR
6   PROSERALAILEASNGLYASNPROSERTRP
7   HISLEUALAASPGLUPROALAVALASNGLY
8   ALATHRGLYHISSERSERSERLEUASPALA
9   ARGGLUVALILEPROMETALAALAVALLYS
10   GLNALALEUARGGLUALAGLYASPGLUPHE
11   GLULEUARGTYRARGARGALAPHESERASP
12   LEUTHRSERGLNLEUHISILETHRPROGLY
13   THRALATYRGLNSERPHEGLUGLNVALVAL
14   ASNGLULEUPHEARGASPGLYVALASNTRP
15   GLYARGILEVALALAPHEPHESERPHEGLY
16   GLYALALEUCYSVALGLUSERVALASPLYS
17   GLUMETGLNVALLEUVALSERARGILEALA
18   ALATRPMETALATHRTYRLEUASNASPHIS
19   LEUGLUPROTRPILEGLNGLUASNGLYGLY
20   TRPASPTHRPHEVALGLULEUTYRGLYASN
21   ASNALAALAALAGLUSERARGLYSGLYGLN
22   GLUARG

Samples:

sample_1: Bcl-xL S62E, [U-99% 13C; U-99% 15N], 2.2 ± 0.1 mM

sample_2: Bcl-xL S62E, [U-99% 13C; U-99% 15N], 1.9 ± 0.1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

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

TALOS, Cornilescu, Delaglio and Bax - structure calculation

TOPSPIN v2.1 and 3.1, Bruker Biospin - collection

TOPSPIN v3.1, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AvanceII 800 MHz
  • Bruker AvanceIII 600 MHz

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