MolNFT v1 · #54425 · protein
Crystal structure of myosin-2 in complex with tribromodichloropseudilin
2XO8 · Myosin-2 heavy chain: “Crystal structure of myosin-2 in complex with tribromodichloropseudilin”. X-ray diffraction, 3 ligands (H70, AD9, MG), 7 pockets (best druggability 0.78). MolNFT v1 #54425 on GenesisL1: 3D structure, binding…
- PDB
- 2XO8
- Type
- protein
- Length
- 776 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-2 heavy chain
- UniProt
- P08799
- Ligands
- H70, AD9, MG
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-2 heavy chain | protein | 776 | 44% helix, 16% strand | P08799 |
Ligands and binding sites
- H70 · 2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol · ligand · chains A
- AD9 · Adp metavanadate · ligand · chains A
- MG · Magnesium ion · metal · 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 | 912 | 0.78 | 0.81 | 78 | H70 |
| 2 | 965 | 0.71 | 0.75 | 81 | empty |
| 3 | 426 | 0.66 | 0.79 | 57 | AD9, MG |
| 4 | 56 | 0.35 | 0.78 | 14 | empty |
| 5 | 60 | 0.33 | 0.76 | 11 | empty |
Compared structures
- 2XO8 · Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin · 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 0.96
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 2XO8 · PDBe 2XO8 · UniProt P08799
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