MolNFT v1 · #21277 · protein
Crystal structure of the ACTIVIN/ACTRIIB extracellular domain
1S4Y · Activin receptor type iib precursor: “Crystal structure of the ACTIVIN/ACTRIIB extracellular domain”. X-ray diffraction, 7 pockets (best druggability 0.72). MolNFT v1 #21277 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1S4Y
- Type
- protein
- Length
- 393 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Activin receptor type iib precursor; Inhibin beta a chain
- EC
- 2.7.1.37
- UniProt
- P27040, P08476
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 12% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Activin receptor type iib precursor (EC 2.7.1.37) | protein | 91 | 8% helix, 44% strand | P27040 |
| B | Inhibin beta a chain | protein | 111 | 12% helix, 43% strand | P08476 |
| C | Activin receptor type iib precursor (EC 2.7.1.37) | protein | 95 | 11% helix, 42% strand | P27040 |
| D | Inhibin beta a chain | protein | 96 | 17% helix, 49% strand | P08476 |
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 818 | 0.72 | 0.77 | 82 | empty |
| 2 | 228 | 0.57 | 0.79 | 31 | empty |
| 3 | 60 | 0.46 | 0.84 | 18 | empty |
| 4 | 87 | 0.44 | 0.80 | 19 | empty |
| 5 | 95 | 0.39 | 0.77 | 24 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1182 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 822 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 777 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 19 disulfide (disulfide).
Compared structures
- 1S4Y · Crystal structure of the activin/actrIIb extracellular domain · the same entry in another collection · chain D against D, TM-score 1.00
- P27040 · AlphaFold monomer V2.0 prediction for activin receptor type-2B (P27040) · a predicted model of the same protein · chain A against A, TM-score 0.95
- P08476 · AlphaFold monomer V2.0 prediction for inhibin beta a chain (P08476) · a predicted model of the same protein · chain D against A, TM-score 0.84
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 P27040
- Every structure of UniProt P08476
- Elsewhere: RCSB PDB 1S4Y · PDBe 1S4Y · UniProt P27040 · UniProt P08476
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