MolNFT v1 · #16436 · protein
Crystal structure of activin a bound to the ecd of actriib P41
1NYS · Activin receptor: “Crystal structure of activin a bound to the ecd of actriib P41”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #16436 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NYS
- Type
- protein
- Length
- 343 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Activin receptor; Inhibin beta a chain
- UniProt
- P38444, P08476
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Activin receptor | protein | 91 | 7% helix, 45% strand | P38444 |
| B | Inhibin beta a chain | protein | 85 | 7% helix, 55% strand | P08476 |
| C | Activin receptor | protein | 92 | 8% helix, 48% strand | P38444 |
| D | Inhibin beta a chain | protein | 75 | 0% helix, 49% strand | P08476 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 667 | 0.69 | 0.77 | 58 | empty |
| 2 | 197 | 0.52 | 0.77 | 25 | empty |
| 3 | 150 | 0.52 | 0.79 | 28 | empty |
| 4 | 117 | 0.46 | 0.78 | 28 | empty |
Interfaces
6 interfaces between chains.
- A–B · 674 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 608 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 258 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 232 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 34 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 1NYS · Crystal Structure of Activin A Bound to the ECD of ActRIIB P41 · the same entry in another collection · chain A against A, TM-score 1.00
- P38444 · AlphaFold monomer V2.0 prediction for activin receptor type-2A (P38444) · a predicted model of the same protein · chain C against A, TM-score 0.96
- 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 0.83
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 P38444
- Every structure of UniProt P08476
- Elsewhere: RCSB PDB 1NYS · PDBe 1NYS · UniProt P38444 · UniProt P08476
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