MolNFT v1 · #53928 · protein
Crystal structure of myosin-2 motor domain in complex with ADP-metavanadate and pentachlorocarbazole
2X9H · Myosin-2 heavy chain: “Crystal structure of myosin-2 motor domain in complex with ADP-metavanadate and pentachlorocarbazole”. X-ray diffraction, 3 ligands (AD9, KI9, MG), 7 pockets (best druggability 0.79). MolNFT v1 #53928 on…
- PDB
- 2X9H
- Type
- protein
- Length
- 691 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-2 heavy chain
- EC
- 3.6.4.1
- UniProt
- P08799
- Ligands
- AD9, KI9, MG
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-2 heavy chain (EC 3.6.4.1) | protein | 691 | 46% helix, 16% strand | P08799 |
Ligands and binding sites
- AD9 · Adp metavanadate · ligand · chains A
- KI9 · 2,3,4,6,8-pentachloro-9H-carbazol-1-ol · 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 | 918 | 0.79 | 0.81 | 70 | KI9 |
| 2 | 437 | 0.69 | 0.80 | 59 | AD9 |
| 3 | 301 | 0.55 | 0.76 | 31 | empty |
| 4 | 180 | 0.47 | 0.75 | 26 | empty |
| 5 | 68 | 0.46 | 0.83 | 23 | empty |
Compared structures
- 2X9H · Crystal structure of myosin-2 motor domain in complex with ADP- metavanadate and… · 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 2X9H · PDBe 2X9H · UniProt P08799
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