MolNFT v1 · #136427 · protein
ALK-5 kinase inhibitor complex
5USQ · TGF-beta receptor type-1: “ALK-5 kinase inhibitor complex”. X-ray diffraction, 1 ligand (8LY), 4 pockets (best druggability 0.75). MolNFT v1 #136427 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5USQ
- Type
- protein
- Length
- 299 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TGF-beta receptor type-1
- EC
- 2.7.11.30
- UniProt
- P36897
- Ligands
- 8LY
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TGF-beta receptor type-1 (EC 2.7.11.30) | protein | 299 | 38% helix, 21% strand | P36897 |
Ligands and binding sites
- 8LY · N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine · 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 | 74 | 0.75 | 0.98 | 20 | empty |
| 2 | 306 | 0.68 | 0.83 | 34 | 8LY |
| 3 | 96 | 0.44 | 0.79 | 21 | empty |
| 4 | 59 | 0.35 | 0.78 | 15 | empty |
Compared structures
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 P36897
- Elsewhere: RCSB PDB 5USQ · PDBe 5USQ · UniProt P36897
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