MolNFT v1 · #103588 · protein
Structure of komagataella pastoris actin-thymosin BETA4 hybrid
4PL7 · ACTIN,THYMOSIN beta-4: “Structure of komagataella pastoris actin-thymosin BETA4 hybrid”. X-ray diffraction, 2 ligands (ATP, CA), 4 pockets (best druggability 0.80). MolNFT v1 #103588 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4PL7
- Type
- protein
- Length
- 763 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ACTIN,THYMOSIN beta-4
- UniProt
- Q9P4D1, P62328
- Ligands
- ATP, CA
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ACTIN,THYMOSIN beta-4 | protein | 382 | 45% helix, 19% strand | Q9P4D1, P62328 |
| B | ACTIN,THYMOSIN beta-4 | protein | 381 | 44% helix, 19% strand | Q9P4D1, P62328 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 995 | 0.80 | 0.82 | 100 | ATP, CA |
| 2 | 345 | 0.78 | 0.89 | 54 | ATP, CA |
| 3 | 101 | 0.40 | 0.76 | 19 | empty |
| 4 | 87 | 0.38 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 327 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4PL7 · Structure of Komagataella pastoris actin-thymosin beta4 hybrid · the same entry in another collection · chain A against A, TM-score 1.00
- Q9P4D1 · AlphaFold monomer V2.0 prediction for actin (Q9P4D1) · a predicted model of the same protein · chain A against A, TM-score 0.90
- P62328 · AlphaFold monomer V2.0 prediction for thymosin beta-4 (P62328) · a predicted model of the same protein · chain B against A, TM-score 0.09
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 Q9P4D1
- Every structure of UniProt P62328
- Elsewhere: RCSB PDB 4PL7 · PDBe 4PL7 · UniProt Q9P4D1 · UniProt P62328
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