MolNFT v1 · #133690 · protein
Xchem group deposition -- crystal structure of human ACVR1 in complex with XS035128C
5S82: “Xchem group deposition -- crystal structure of human ACVR1 in complex with XS035128C”. X-ray diffraction, 3 ligands (LU8, LAC, SO4). MolNFT v1 #133690 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5S82
- Type
- protein
- Length
- 563 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q04771
- Ligands
- LU8, LAC, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 279 | — | Q04771 |
| B | — | protein | 284 | — | 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
- LAC · Lactic acid · ligand · 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 A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5S82 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c · 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 5S82 · PDBe 5S82 · UniProt Q04771
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