MolNFT v1 · #1590 · protein
Crystal structure of the cytoplasmic domain of the type I TGF-beta receptor in complex with FKBP12
1B6C · FK506-binding protein: “Crystal structure of the cytoplasmic domain of the type I TGF-beta receptor in complex with FKBP12”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.82). MolNFT v1 #1590 on GenesisL1: 3D…
- PDB
- 1B6C
- Type
- protein
- Length
- 1,732 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FK506-binding protein; TGF-B superfamily receptor type I
- EC
- 5.2.1.8, 2.7.1.37
- UniProt
- P62942, P36897
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | FK506-binding protein (EC 5.2.1.8) | protein | 107 | 15% helix, 40% strand | P62942 |
| B, D, F, H | TGF-B superfamily receptor type I (EC 2.7.1.37) | protein | 326 | 40% helix, 19% strand | P36897 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains B, D, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.82 | 0.83 | 121 | SO4 |
| 2 | 377 | 0.73 | 0.84 | 49 | SO4 |
| 3 | 455 | 0.72 | 0.82 | 49 | SO4 |
| 4 | 70 | 0.65 | 0.92 | 16 | empty |
| 5 | 88 | 0.65 | 0.91 | 18 | empty |
Interfaces
9 interfaces between chains.
- C–D · 915 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 908 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 905 Ų buried · 5 hydrogen bonds · protein-protein
- G–H · 899 Ų buried · 5 hydrogen bonds · protein-protein
- B–H · 405 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1B6C · Crystal structure of the cytoplasmic domain of the type I TGF-beta receptor in complex… · the same entry in another collection · chain G against G, 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 0.99
- P36897 · AlphaFold monomer V2.0 prediction for TGF-beta receptor type-1 (P36897) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P36897
- Elsewhere: RCSB PDB 1B6C · PDBe 1B6C · UniProt P62942 · UniProt P36897
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