MolNFT v1 · #28996 · protein
The structural basis of blebbistatin inhibition and specificity for myosin II
1YV3 · Myosin II heavy chain: “The structural basis of blebbistatin inhibition and specificity for myosin II”. X-ray diffraction, 4 ligands (ADP, BIT, MG), 6 pockets (best druggability 0.80). MolNFT v1 #28996 on GenesisL1: 3D structure…
- PDB
- 1YV3
- Type
- protein
- Length
- 703 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin II heavy chain
- UniProt
- P08799
- Ligands
- ADP, BIT, MG, VO4
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin II heavy chain | protein | 703 | 46% helix, 17% strand | P08799 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- BIT · (-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-B]-7-methylquinolin-4-one · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- VO4 · Vanadate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 964 | 0.80 | 0.82 | 83 | BIT |
| 2 | 402 | 0.67 | 0.80 | 63 | MG, VO4, ADP |
| 3 | 200 | 0.53 | 0.78 | 24 | empty |
| 4 | 86 | 0.48 | 0.82 | 22 | empty |
| 5 | 101 | 0.38 | 0.75 | 23 | empty |
Compared structures
- 1YV3 · The structural basis of blebbistatin inhibition and specificity for myosin II · 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 0.98
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 1YV3 · PDBe 1YV3 · UniProt P08799
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