MolNFT v1 · #171510 · protein
Nucleotide-free myosin-II motor domain
6Z7T · Myosin-2 heavy chain: “Nucleotide-free myosin-II motor domain”. X-ray diffraction, 1 ligand (MG), 16 pockets (best druggability 0.78). MolNFT v1 #171510 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6Z7T
- Type
- protein
- Length
- 1,456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-2 heavy chain
- UniProt
- P08799
- Ligands
- MG
- Pockets
- 16 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-2 heavy chain | protein | 726 | 48% helix, 15% strand | P08799 |
| B | Myosin-2 heavy chain | protein | 730 | 48% helix, 16% strand | P08799 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 20 copies · chains A, B
- GOL · Glycerol · additive · 10 copies · chains A, B
- PGE · Triethylene glycol · additive · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 639 | 0.78 | 0.84 | 81 | MG, EDO, GOL |
| 2 | 751 | 0.77 | 0.81 | 70 | EDO |
| 3 | 1113 | 0.75 | 0.78 | 102 | EDO, GOL, PEG |
| 4 | 809 | 0.75 | 0.79 | 83 | empty |
| 5 | 323 | 0.73 | 0.85 | 54 | EDO |
Interfaces
1 interface between chains.
- A–B · 552 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
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 6Z7T · PDBe 6Z7T · UniProt P08799
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