BMRB: 11471

NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS

Authors

Kobashigawa, Y., Ushio, M., Saio, T., Inagaki, F.

Assembly

FKBP12-mTOR FRB domain-rapamycin complex structure

Entity

1. FKBP12-mTOR FRB domain-rapamycin complex structure, entity 1 (polymer), 107 monomers, 11819.37 Da Detail

GVQVETISPG DGRTFPKRGQ TCVVHYTGML EDGKKFDSSR DRNKPFKFML GKQEVIRGWE EGVAQMSVGQ RAKLTISPDY AYGATGHPGI IPPHATLVFD VELLKLE

2. FKBP12-mTOR FRB domain-rapamycin complex structure, entity 2 (polymer), 94 monomers, 11315.80 Da Detail

VAILWHEMWH EGLEEASRLY FGERNVKGMF EVLEPLHAMM ERGPQTLKET SFNQAYGRDL MEAQEWCRKY MKSGNVKDLT QAWDLYYHVF RRIS

Total weight

23135.17 Da

Max. entity weight

11819.37 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 59.2 %, Completeness (bb): 76.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	59.2 % (1421 of 2400)	53.9 % (677 of 1255)	59.1 % (553 of 935)	91.0 % (191 of 210)
Backbone	76.3 % (907 of 1188)	72.8 % (300 of 412)	72.4 % (423 of 584)	95.8 % (184 of 192)
Sidechain	46.6 % (649 of 1394)	44.1 % (372 of 843)	50.7 % (270 of 533)	38.9 % (7 of 18)
Aromatic	9.9 % (24 of 242)	11.6 % (14 of 121)	7.8 % (9 of 116)	20.0 % (1 of 5)
Methyl	58.4 % (111 of 190)	57.9 % (55 of 95)	58.9 % (56 of 95)

1. entity 1

GVQVETISPG DGRTFPKRGQ TCVVHYTGML EDGKKFDSSR DRNKPFKFML GKQEVIRGWE EGVAQMSVGQ RAKLTISPDY AYGATGHPGI IPPHATLVFD VELLKLE

2. entity 2

VAILWHEMWH EGLEEASRLY FGERNVKGMF EVLEPLHAMM ERGPQTLKET SFNQAYGRDL MEAQEWCRKY MKSGNVKDLT QAWDLYYHVF RRIS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	FKBP12	natural abundance	protein	0.3 mM
2	FRB	[U-98% 15N]	protein	0.3 mM
3	H2O		solvent	90 %
4	D2O		solvent	10 %

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Calculated from 20 models in PDB: 2RSE, Strand ID: A, B Detail

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Release date

2012-05-31

Citation

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
Kobashigawa, Y., Saio, T., Ushio, M., Inagaki, F.
J. Biomol. NMR (2012), 53, 53-63, PubMed 22487935 , DOI 10.1007/s10858-012-9623-8 , Abstract

Related entities 1. FKBP12-mTOR FRB domain-rapamycin complex structure, entity 1, : 1 : 2 : 140 entities Detail

Related entities 2. FKBP12-mTOR FRB domain-rapamycin complex structure, entity 2, : 1 : 45 : 16 : 38 entities Detail

Interaction partners 2. FKBP12-mTOR FRB domain-rapamycin complex structure, entity 2, : 5 interactors Detail

Experiments performed 1 experiments Detail