MolNFT v1 · #60105 · protein
Complex of dictyostelium discoideum actin with profilin and the last poly-pro of human vasp
3CHW · Major actin: “Complex of dictyostelium discoideum actin with profilin and the last poly-pro of human vasp”. X-ray diffraction, 2 ligands (ATP, CA), 4 pockets (best druggability 0.73). MolNFT v1 #60105 on GenesisL1: 3D structure…
- PDB
- 3CHW
- Type
- protein
- Length
- 513 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major actin; Profilin-1; Vasodilator-stimulated phosphoprotein 16-residue peptide
- UniProt
- P07830, P07737, P50552
- Ligands
- ATP, CA
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major actin | protein | 361 | 42% helix, 20% strand | P07830 |
| P | Profilin-1 | protein | 139 | 29% helix, 32% strand | P07737 |
| V | Vasodilator-stimulated phosphoprotein 16-residue peptide | protein | 13 | 0% helix, 0% strand | P50552 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 453 | 0.73 | 0.83 | 52 | CA, ATP |
| 2 | 175 | 0.60 | 0.83 | 25 | empty |
| 3 | 145 | 0.57 | 0.83 | 30 | empty |
| 4 | 109 | 0.35 | 0.73 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–P · 1150 Ų buried · 20 hydrogen bonds · protein-protein
- P–V · 443 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 3CHW · Complex of Dictyostelium discoideum Actin with Profilin and the Last Poly-Pro of Human… · the same entry in another collection · chain A against A, TM-score 1.00
- P07830 · AlphaFold monomer V2.0 prediction for major actin (P07830) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P07737 · AlphaFold monomer V2.0 prediction for profilin-1 (P07737) · a predicted model of the same protein · chain P against A, TM-score 0.98
- P50552 · AlphaFold monomer V2.0 prediction for vasodilator-stimulated phosphoprotein (P50552) · a predicted model of the same protein · chain V against A, TM-score 0.38
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 P07830
- Every structure of UniProt P07737
- Every structure of UniProt P50552
- Elsewhere: RCSB PDB 3CHW · PDBe 3CHW · UniProt P07830 · UniProt P07737 · UniProt P50552
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