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- PDB-2rse: NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structu... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2rse | ||||||
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Title | NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS | ||||||
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![]() | ISOMERASE/TRANSFERASE / FKBP12 / rapamycin / FK506 / lanthanide / PCS / ISOMERASE-TRANSFERASE complex | ||||||
Function / homology | ![]() RNA polymerase III type 2 promoter sequence-specific DNA binding / positive regulation of cytoplasmic translational initiation / RNA polymerase III type 1 promoter sequence-specific DNA binding / T-helper 1 cell lineage commitment / positive regulation of pentose-phosphate shunt / regulation of locomotor rhythm / positive regulation of wound healing, spreading of epidermal cells / cellular response to leucine starvation / TFIIIC-class transcription factor complex binding / TORC2 complex ...RNA polymerase III type 2 promoter sequence-specific DNA binding / positive regulation of cytoplasmic translational initiation / RNA polymerase III type 1 promoter sequence-specific DNA binding / T-helper 1 cell lineage commitment / positive regulation of pentose-phosphate shunt / regulation of locomotor rhythm / positive regulation of wound healing, spreading of epidermal cells / cellular response to leucine starvation / TFIIIC-class transcription factor complex binding / TORC2 complex / regulation of membrane permeability / heart valve morphogenesis / macrolide binding / negative regulation of lysosome organization / activin receptor binding / RNA polymerase III type 3 promoter sequence-specific DNA binding / positive regulation of transcription of nucleolar large rRNA by RNA polymerase I / TORC1 complex / cytoplasmic side of membrane / calcineurin-NFAT signaling cascade / nucleus localization / cellular response to methionine / voluntary musculoskeletal movement / regulation of osteoclast differentiation / TORC1 signaling / regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion / signaling receptor inhibitor activity / positive regulation of keratinocyte migration / transforming growth factor beta receptor binding / TGFBR1 LBD Mutants in Cancer / cellular response to L-leucine / MTOR signalling / Amino acids regulate mTORC1 / cellular response to nutrient / type I transforming growth factor beta receptor binding / regulation of autophagosome assembly / Energy dependent regulation of mTOR by LKB1-AMPK / energy reserve metabolic process / negative regulation of activin receptor signaling pathway / heart trabecula formation / negative regulation of cell size / ruffle organization / terminal cisterna / ryanodine receptor complex / cellular response to osmotic stress / I-SMAD binding / negative regulation of protein localization to nucleus / regulation of amyloid precursor protein catabolic process / anoikis / cardiac muscle cell development / protein maturation by protein folding / positive regulation of transcription by RNA polymerase III / ventricular cardiac muscle tissue morphogenesis / negative regulation of calcineurin-NFAT signaling cascade / 'de novo' protein folding / regulation of myelination / negative regulation of macroautophagy / regulation of cell size / positive regulation of oligodendrocyte differentiation / FK506 binding / Macroautophagy / positive regulation of actin filament polymerization / lysosome organization / positive regulation of myotube differentiation / oligodendrocyte differentiation / behavioral response to pain / channel regulator activity / TGF-beta receptor signaling activates SMADs / Constitutive Signaling by AKT1 E17K in Cancer / germ cell development / mTORC1-mediated signalling / CD28 dependent PI3K/Akt signaling / : / protein peptidyl-prolyl isomerization / Calcineurin activates NFAT / HSF1-dependent transactivation / neuronal action potential / regulation of ryanodine-sensitive calcium-release channel activity / regulation of immune response / TOR signaling / response to amino acid / endomembrane system / cellular response to nutrient levels / positive regulation of translational initiation / regulation of macroautophagy / 'de novo' pyrimidine nucleobase biosynthetic process / positive regulation of lamellipodium assembly / positive regulation of epithelial to mesenchymal transition / positive regulation of lipid biosynthetic process / heart morphogenesis / cardiac muscle contraction / supramolecular fiber organization / regulation of cellular response to heat / phagocytic vesicle / positive regulation of stress fiber assembly / cytoskeleton organization / sarcoplasmic reticulum membrane / T cell costimulation / T cell activation / cellular response to starvation Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model 1 | ||||||
![]() | Kobashigawa, Y. / Ushio, M. / Saio, T. / Inagaki, F. | ||||||
![]() | ![]() Title: 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. Authors: Kobashigawa, Y. / Saio, T. / Ushio, M. / Sekiguchi, M. / Yokochi, M. / Ogura, K. / Inagaki, F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 1.3 MB | Display | ![]() |
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PDB format | ![]() | 1.1 MB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 11836.508 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Protein | Mass: 11331.937 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 2019-2112 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P42345, non-specific serine/threonine protein kinase |
#3: Chemical |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR / Details: PCS-based rigid body docking structure |
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NMR experiment | Type: 2D 1H-15N ![]() |
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Sample preparation
Details | Contents: 0.3 mM FKBP12-1, 0.3 mM [U-98% 15N] FRB-2, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0.15 / pH: 7 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz |
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Processing
NMR software | Name: ![]() |
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Refinement | Method: simulated annealing / Software ordinal: 1 |
NMR representative | Selection criteria: lowest energy |
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 / Representative conformer: 1 |