MolNFT v1 · #153927 · protein
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with rk-71807
6JUX · Activin receptor type-1: “Crystal structure of human ALK2 kinase domain with R206H mutation in complex with rk-71807”. X-ray diffraction, 2 ligands (C9U, SO4), 2 pockets (best druggability 0.71). MolNFT v1 #153927 on GenesisL1: 3D…
- PDB
- 6JUX
- Type
- protein
- Length
- 295 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
- C9U, SO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Activin receptor type-1 (EC 2.7.11.30) | protein | 295 | 38% helix, 23% strand | Q04771 |
Ligands and binding sites
- C9U · 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine · ligand · chains A
- SO4 · Sulfate ion · ion · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 548 | 0.71 | 0.80 | 51 | C9U, SO4 |
| 2 | 102 | 0.49 | 0.81 | 25 | empty |
Compared structures
- 6JUX · Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 · 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 6JUX · PDBe 6JUX · UniProt Q04771
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