MolNFT v1 · #34425 · protein
3-D structure of myosin-V inhibited state
2DFS · Myosin-5A: “3-D structure of myosin-V inhibited state”. Electron crystallography, 20 pockets (best druggability 0.74). MolNFT v1 #34425 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2DFS
- Type
- protein
- Length
- 3,668 residues
- Chains
- 14
- Method
- electron crystallography
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-5A; Calmodulin
- UniProt
- Q02440, P62204
- Pockets
- 20 · best druggability 0.74
Structure
electron crystallography · 3 distinct chains · 56% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, M | Myosin-5A | protein | 994 | 58% helix, 12% strand | Q02440 |
| B, D, F, N, P, R | Calmodulin | protein | 139 | 48% helix, 9% strand | P62204 |
| C, E, G, O, Q, S | Calmodulin | protein | 141 | 53% helix, 9% strand | P62204 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 704 | 0.74 | 0.80 | 60 | empty |
| 2 | 733 | 0.74 | 0.79 | 66 | empty |
| 3 | 424 | 0.65 | 0.78 | 54 | empty |
| 4 | 157 | 0.64 | 0.86 | 36 | empty |
| 5 | 540 | 0.62 | 0.75 | 47 | empty |
Interfaces
26 interfaces between chains.
- A–M · 2411 Ų buried · 23 hydrogen bonds · protein-protein
- A–G · 1872 Ų buried · 32 hydrogen bonds · protein-protein
- M–O · 1561 Ų buried · 27 hydrogen bonds · protein-protein
- M–S · 1560 Ų buried · 34 hydrogen bonds · protein-protein
- M–Q · 1548 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 2DFS · 3-D structure of Myosin-V inhibited state · the same entry in another collection · chain S against S, TM-score 1.00
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 Q02440
- Every structure of UniProt P62204
- Elsewhere: RCSB PDB 2DFS · PDBe 2DFS · UniProt Q02440 · UniProt P62204
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