MolNFT v1 · #47848 · protein
Ternary complex of profilin-actin with the last poly-pro of human vasp
2PAV · Actin, alpha skeletal muscle: “Ternary complex of profilin-actin with the last poly-pro of human vasp”. X-ray diffraction, 2 ligands (ATP, CA), 4 pockets (best druggability 0.74). MolNFT v1 #47848 on GenesisL1: 3D structure, binding…
- PDB
- 2PAV
- Type
- protein
- Length
- 514 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; Profilin-1; Vasodilator-stimulated phosphoprotein
- UniProt
- P68135, P07737, P50552
- Ligands
- ATP, CA
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 362 | 45% helix, 20% strand | P68135 |
| P | Profilin-1 | protein | 139 | 29% helix, 32% strand | P07737 |
| V | Vasodilator-stimulated phosphoprotein | 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 | 414 | 0.74 | 0.84 | 50 | CA, ATP |
| 2 | 167 | 0.58 | 0.82 | 24 | empty |
| 3 | 108 | 0.53 | 0.83 | 28 | empty |
| 4 | 119 | 0.37 | 0.73 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–P · 1157 Ų buried · 20 hydrogen bonds · protein-protein
- P–V · 470 Ų buried · 5 hydrogen bonds · protein-protein
- A–V · 24 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 2PAV · Ternary complex of Profilin-Actin with the Last Poly-Pro of Human VASP · the same entry in another collection · chain A against A, TM-score 1.00
- P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · 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 0.97
- P50552 · AlphaFold monomer V2.0 prediction for vasodilator-stimulated phosphoprotein (P50552) · a predicted model of the same protein · chain V against A, TM-score 0.49
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 P68135
- Every structure of UniProt P07737
- Every structure of UniProt P50552
- Elsewhere: RCSB PDB 2PAV · PDBe 2PAV · UniProt P68135 · UniProt P07737 · UniProt P50552
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