MolNFT v2 · #166589 · protein
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
6TN8: “Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564”. X-ray diffraction at 1.63, 2 ligands (5U6, SO4). MolNFT v2 #166589 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TN8
- Type
- protein
- Length
- 296 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.63
- Source
- Homo sapiens
- UniProt
- Q04771
- Ligands
- 5U6, SO4
Structure
x-ray diffraction · resolution 1.63 · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 296 | — | Q04771 |
Ligands and binding sites
- 5U6 · 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- DIO · 1,4-diethylene dioxide · additive · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6TN8 · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound bi-9564 · 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 0.96
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 6TN8 · PDBe 6TN8 · UniProt Q04771
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