MolNFT v1 · #16438 · protein
Crystal structure of activin a bound to the ecd of actriib
1NYU · Activin receptor: “Crystal structure of activin a bound to the ecd of actriib”. X-ray diffraction, 5 pockets (best druggability 0.64). MolNFT v1 #16438 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NYU
- Type
- protein
- Length
- 320 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Activin receptor; Inhibin beta a chain
- UniProt
- P38445, P08476
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 4 distinct chains · 2% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Activin receptor | protein | 92 | 0% helix, 37% strand | P38445 |
| B | Inhibin beta a chain | protein | 86 | 3% helix, 60% strand | P08476 |
| C | Activin receptor | protein | 83 | 4% helix, 37% strand | P38445 |
| D | Inhibin beta a chain | protein | 59 | 0% helix, 47% strand | P08476 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.64 | 0.81 | 41 | empty |
| 2 | 595 | 0.62 | 0.74 | 65 | empty |
| 3 | 211 | 0.50 | 0.76 | 29 | empty |
| 4 | 119 | 0.43 | 0.76 | 21 | empty |
| 5 | 97 | 0.38 | 0.76 | 20 | empty |
Interfaces
4 interfaces between chains.
- A–B · 699 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 531 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 216 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 172 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 1NYU · Crystal Structure of Activin A Bound to the ECD of ActRIIB · the same entry in another collection · chain D against D, TM-score 1.00
- P38445 · AlphaFold monomer V2.0 prediction for activin receptor type-2B (P38445) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P08476 · AlphaFold monomer V2.0 prediction for inhibin beta a chain (P08476) · a predicted model of the same protein · chain B against A, TM-score 0.82
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 P38445
- Every structure of UniProt P08476
- Elsewhere: RCSB PDB 1NYU · PDBe 1NYU · UniProt P38445 · UniProt P08476
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