MolNFT v1 · #171511 · protein
Myosin-II motor domain complexed with blebbistatin in a new ADP- release conformation
6Z7U · Myosin-2 heavy chain: “Myosin-II motor domain complexed with blebbistatin in a new ADP- release conformation”. X-ray diffraction, 2 ligands (ADP, BIT), 8 pockets (best druggability 0.79). MolNFT v1 #171511 on GenesisL1: 3D…
- PDB
- 6Z7U
- Type
- protein
- Length
- 752 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-2 heavy chain
- UniProt
- P08799
- Ligands
- ADP, BIT
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-2 heavy chain | protein | 752 | 47% helix, 16% 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
- EDO · 1,2-ethanediol · additive · 9 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.79 | 0.85 | 57 | BIT |
| 2 | 662 | 0.76 | 0.82 | 87 | ADP, EDO |
| 3 | 775 | 0.72 | 0.77 | 71 | EDO |
| 4 | 325 | 0.67 | 0.81 | 35 | EDO |
| 5 | 127 | 0.41 | 0.75 | 19 | empty |
Compared structures
- 6Z7U · Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation · 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 0.86
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 6Z7U · PDBe 6Z7U · UniProt P08799
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