MolNFT v1 · #50743 · protein
NMR structure of FKBP12-mtor frb domain-rapamycin complex structure determined based on pcs
2RSE · Peptidyl-prolyl cis-trans isomerase FKBP1A: “NMR structure of FKBP12-mtor frb domain-rapamycin complex structure determined based on pcs”. Solution nmr, 1 ligand (TB), 1 pocket (best druggability 0.70). MolNFT v1 #50743 on…
- PDB
- 2RSE
- Type
- protein
- Length
- 201 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase FKBP1A; SERINE/THREONINE-protein kinase mtor
- EC
- 5.2.1.8, 2.7.11.1
- UniProt
- P62942, P42345
- Ligands
- TB
- Pockets
- 1 · best druggability 0.70
Structure
solution nmr · 2 distinct chains · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase FKBP1A (EC 5.2.1.8) | protein | 107 | 10% helix, 40% strand | P62942 |
| B | SERINE/THREONINE-protein kinase mtor (EC 2.7.11.1) | protein | 94 | 85% helix, 0% strand | P42345 |
Ligands and binding sites
- TB · Terbium(iii) ion · metal · 2 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.70 | 0.77 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 283 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2RSE · NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on… · the same entry in another collection · chain A against A, TM-score 1.00
- P62942 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP1A (P62942) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P42345 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase mtor (P42345) · a predicted model of the same protein · chain B against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P62942
- Every structure of UniProt P42345
- Elsewhere: RCSB PDB 2RSE · PDBe 2RSE · UniProt P62942 · UniProt P42345
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