MolNFT v1 · #25920 · protein
Myosin II dictyostelium discoideum motor domain S456E bound with mgadp-ALF4
1W9L · Myosin II heavy chain: “Myosin II dictyostelium discoideum motor domain S456E bound with mgadp-ALF4”. X-ray diffraction, 3 ligands (ADP, ALF, MG), 8 pockets (best druggability 0.78). MolNFT v1 #25920 on GenesisL1: 3D structure…
- PDB
- 1W9L
- Type
- protein
- Length
- 726 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin II heavy chain
- EC
- 3.6.4.1
- UniProt
- P08799
- Ligands
- ADP, ALF, MG
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin II heavy chain (EC 3.6.4.1) | protein | 726 | 47% helix, 17% strand | P08799 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- ALF · Tetrafluoroaluminate ion · ligand · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 954 | 0.78 | 0.80 | 84 | EDO |
| 2 | 511 | 0.68 | 0.79 | 58 | MG, ADP, ALF |
| 3 | 272 | 0.58 | 0.78 | 27 | empty |
| 4 | 77 | 0.45 | 0.81 | 23 | empty |
| 5 | 59 | 0.35 | 0.78 | 15 | empty |
Compared structures
- 1W9L · Myosin II Dictyostelium discoideum motor domain S456E bound with MgADP-AlF4 · the same entry in another collection · chain A against A, TM-score 1.00
- P08799 · AlphaFold monomer V2.0 prediction for myosin-2 heavy chain (P08799) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P08799
- Elsewhere: RCSB PDB 1W9L · PDBe 1W9L · UniProt P08799
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