MolNFT v1 · #31334 · protein
Activin a in complex with FS12 fragment of follistatin
2ARP · Inhibin beta a chain: “Activin a in complex with FS12 fragment of follistatin”. X-ray diffraction, 2 ligands (1PG, NI), 2 pockets (best druggability 0.53). MolNFT v1 #31334 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2ARP
- Type
- protein
- Length
- 253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inhibin beta a chain; Follistatin
- UniProt
- P08476, P21674
- Ligands
- 1PG, NI
- Pockets
- 2 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inhibin beta a chain | protein | 105 | 11% helix, 43% strand | P08476 |
| F | Follistatin | protein | 148 | 14% helix, 26% strand | P21674 |
Ligands and binding sites
- 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · chains A
- NI · Nickel (II) ion · metal · 3 copies · chains A, F
- GOL · Glycerol · additive · 4 copies · chains A, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.53 | 0.81 | 29 | empty |
| 2 | 183 | 0.44 | 0.74 | 24 | NI |
Interfaces
1 interface between chains.
- A–F · 1063 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 2ARP · Activin A in complex with Fs12 fragment of follistatin · the same entry in another collection · chain A against A, TM-score 1.00
- P21674 · AlphaFold monomer V2.0 prediction for follistatin (P21674) · a predicted model of the same protein · chain F against A, TM-score 0.93
- P08476 · AlphaFold monomer V2.0 prediction for inhibin beta a chain (P08476) · a predicted model of the same protein · chain A against A, TM-score 0.74
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 P08476
- Every structure of UniProt P21674
- Elsewhere: RCSB PDB 2ARP · PDBe 2ARP · UniProt P08476 · UniProt P21674
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