MolNFT v1 · #59477 · protein
Crystal structures of (S)-(-)-blebbistatin analogs bound to dictyostelium discoideum myosin II
3BZ9 · Myosin-2 heavy chain, non muscle: “Crystal structures of (S)-(-)-blebbistatin analogs bound to dictyostelium discoideum myosin II”. X-ray diffraction, 4 ligands (ADP, BL7, MG), 7 pockets (best druggability 0.80). MolNFT v1 #59477 on…
- PDB
- 3BZ9
- Type
- protein
- Length
- 703 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-2 heavy chain, non muscle
- UniProt
- P08799
- Ligands
- ADP, BL7, MG, VO4
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-2 heavy chain, non muscle | protein | 703 | 45% helix, 17% strand | P08799 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- BL7 · (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-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
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 986 | 0.80 | 0.81 | 90 | BL7 |
| 2 | 435 | 0.67 | 0.79 | 64 | MG, VO4, ADP |
| 3 | 220 | 0.53 | 0.77 | 25 | empty |
| 4 | 70 | 0.47 | 0.83 | 22 | empty |
| 5 | 88 | 0.37 | 0.75 | 18 | empty |
Compared structures
- 3BZ9 · Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum… · 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 3BZ9 · PDBe 3BZ9 · UniProt P08799
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