Research workbench
ALK5 in complex with 4-((5,6-dimethyl-2-(2-pyridyl)-3-PYRIDYL)OXY)-N- (3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-amine
Analyse ALK5 in complex with 4-((5,6-dimethyl-2-(2-pyridyl)-3-PYRIDYL)OXY)-N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WOT
- Type
- protein
- Length
- 303 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
- ZZG
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TGF-beta receptor type-1 (EC 2.7.11.30) | protein | 303 | 39% helix, 20% strand | P36897 |
Ligands and binding sites
- ZZG · 4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine · ligand · chains A
- EDO · 1,2-ethanediol · additive · 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 | 84 | 0.77 | 0.99 | 20 | empty |
| 2 | 318 | 0.70 | 0.84 | 36 | ZZG |
| 3 | 53 | 0.43 | 0.84 | 17 | empty |
| 4 | 66 | 0.33 | 0.76 | 14 | empty |
Compared structures
- 2WOT · ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphen… · 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 2WOT · PDBe 2WOT · UniProt P36897
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