MolNFT v1 · #164237 · protein
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
6SRH: “Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117”. X-ray diffraction, 2 ligands (LU8, SO4). MolNFT v1 #164237 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SRH
- Type
- protein
- Length
- 583 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q04771
- Ligands
- LU8, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 288 | — | Q04771 |
| B | — | protein | 295 | — | Q04771 |
Ligands and binding sites
- LU8 · 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine · ligand · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 13 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains B
- TLA · L(+)-tartaric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6SRH · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 · 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 B against A, TM-score 0.95
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 6SRH · PDBe 6SRH · UniProt Q04771
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