BMRB Entry 11471

Title:
NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS
Deposition date:
2012-01-24
Original release date:
2012-06-01
Authors:
Kobashigawa, Yoshihiro; Ushio, Masahiro; Saio, Tomohide; Inagaki, Fuyuhiko
Citation:

Citation: Kobashigawa, Yoshihiro; Saio, Tomohide; Ushio, Masahiro; Inagaki, Fuyuhiko. "Convenient method for resolving degeneracies due to symmetry of the magnetic susceptibility tensor and its application to pseudo contact shift-based protein-protein complex structure determination"  J. Biomol. NMR 53, 53-63 (2012).
PubMed: 22487935

Assembly members:

Assembly members:
entity_1, polymer, 107 residues, 11836.611 Da.
entity_2, polymer, 94 residues, 11332.021 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: pGBHPS

Data sets:
Data typeCount
13C chemical shifts535
15N chemical shifts190
1H chemical shifts755

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 107 residues - 11836.611 Da.

1   GLYVALGLNVALGLUTHRILESERPROGLY
2   ASPGLYARGTHRPHEPROLYSARGGLYGLN
3   THRCYSVALVALHISTYRTHRGLYMETLEU
4   GLUASPGLYLYSLYSPHEASPSERSERARG
5   ASPARGASNLYSPROPHELYSPHEMETLEU
6   GLYLYSGLNGLUVALILEARGGLYTRPGLU
7   GLUGLYVALALAGLNMETSERVALGLYGLN
8   ARGALALYSLEUTHRILESERPROASPTYR
9   ALATYRGLYALATHRGLYHISPROGLYILE
10   ILEPROPROHISALATHRLEUVALPHEASP
11   VALGLULEULEULYSLEUGLU

Entity 2, entity_2 94 residues - 11332.021 Da.

1   VALALAILELEUTRPHISGLUMETTRPHIS
2   GLUGLYLEUGLUGLUALASERARGLEUTYR
3   PHEGLYGLUARGASNVALLYSGLYMETPHE
4   GLUVALLEUGLUPROLEUHISALAMETMET
5   GLUARGGLYPROGLNTHRLEULYSGLUTHR
6   SERPHEASNGLNALATYRGLYARGASPLEU
7   METGLUALAGLNGLUTRPCYSARGLYSTYR
8   METLYSSERGLYASNVALLYSASPLEUTHR
9   GLNALATRPASPLEUTYRTYRHISVALPHE
10   ARGARGILESER

Samples:

sample_1: FKBP12 0.3 mM; FRB, [U-98% 15N], 0.3 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.15 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 16925 16931 16933 19240 19241 16933 6760
PDB
DBJ BAB22351 BAB27125 BAB31680 BAE32804 BAE40271 BAE06077 BAG10549 BAG54371
EMBL CAA36462 CAA39272 CAA42762 CAG28541 CAG46965 CAC15570 CAC42395
GB AAA19163 AAA31252 AAA35844 AAA58472 AAA58476 AAA20091 AAA58486 AAA65929 AAB32957 AAC39933
PRF 1613455A 2014422A
REF NP_000792 NP_001030533 NP_001033089 NP_001164597 NP_001239119 NP_001138927 NP_001272677 NP_004949 NP_063971 NP_064393
SP P18203 P26883 P62942 P62943 Q62658 P42345 P42346 Q9JLN9
TPG DAA23300 DAA21300
AlphaFold P62943 P18203 P26883 P62942 Q62658 P42345 Q9JLN9 P42346

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