MolNFT v1 · #176706 · protein
Discovery of functionally selective transforming growth factor beta type II receptor (TGF-beta rii) inhibitors as anti-fibrosis agents
7DV6 · TGF-beta receptor type-2: “Discovery of functionally selective transforming growth factor beta type II receptor (TGF-beta rii)…”. X-ray diffraction, 1 ligand (HJF), 4 pockets (best druggability 0.66). MolNFT v1 #176706 on GenesisL1…
- PDB
- 7DV6
- Type
- protein
- Length
- 304 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TGF-beta receptor type-2
- EC
- 2.7.11.30
- UniProt
- P37173
- Ligands
- HJF
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TGF-beta receptor type-2 (EC 2.7.11.30) | protein | 304 | 41% helix, 18% strand | P37173 |
Ligands and binding sites
- HJF · 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.66 | 0.81 | 39 | HJF |
| 2 | 110 | 0.64 | 0.89 | 27 | empty |
| 3 | 122 | 0.49 | 0.79 | 24 | empty |
| 4 | 55 | 0.31 | 0.76 | 14 | empty |
Compared structures
- 7DV6 · Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor… · the same entry in another collection · chain A against A, TM-score 1.00
- P37173 · AlphaFold monomer V2.0 prediction for TGF-beta receptor type-2 (P37173) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P37173
- Elsewhere: RCSB PDB 7DV6 · PDBe 7DV6 · UniProt P37173
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