MolNFT v1 · #119287 · protein
ALK5 in complex witha an N-(4-anilino-2-PYRIDYL)ACETAMIDE inhibitor.
5FRI · TGF-beta receptor type-1: “ALK5 in complex witha an N-(4-anilino-2-PYRIDYL)ACETAMIDE inhibitor.”. X-ray diffraction, 1 ligand (ZUQ), 4 pockets (best druggability 0.75). MolNFT v1 #119287 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5FRI
- Type
- protein
- Length
- 301 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
- ZUQ
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TGF-beta receptor type-1 (EC 2.7.11.30) | protein | 301 | 39% helix, 21% strand | P36897 |
Ligands and binding sites
- ZUQ · N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · 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 | 67 | 0.75 | 0.99 | 20 | empty |
| 2 | 278 | 0.69 | 0.84 | 37 | ZUQ |
| 3 | 61 | 0.42 | 0.82 | 23 | empty |
| 4 | 53 | 0.29 | 0.75 | 12 | empty |
Compared structures
- 5FRI · ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor. · the same entry in another collection · chain A against A, TM-score 1.00
- P36897 · AlphaFold monomer V2.0 prediction for TGF-beta receptor type-1 (P36897) · 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 P36897
- Elsewhere: RCSB PDB 5FRI · PDBe 5FRI · UniProt P36897
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