MolNFT v1 · #147626 · protein
Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with a 2-aminopyridine inhibitor K02288
6EIX · Activin receptor type-1: “Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with a 2-aminopyridine…”. X-ray diffraction, 1 ligand (A3F), 2 pockets (best druggability 0.69). MolNFT v1 #147626 on…
- PDB
- 6EIX
- Type
- protein
- Length
- 312 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Activin receptor type-1
- EC
- 2.7.11.30
- UniProt
- Q04771
- Ligands
- A3F
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Activin receptor type-1 (EC 2.7.11.30) | protein | 312 | 40% helix, 20% strand | Q04771 |
Ligands and binding sites
- A3F · 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol · ligand · chains A
- EDO · 1,2-ethanediol · additive · 9 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 482 | 0.69 | 0.80 | 49 | A3F, EDO |
| 2 | 129 | 0.54 | 0.82 | 31 | EDO |
Compared structures
- 6EIX · Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q04771 · AlphaFold monomer V2.0 prediction for activin receptor type-1 (Q04771) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q04771
- Elsewhere: RCSB PDB 6EIX · PDBe 6EIX · UniProt Q04771
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