MolNFT v1 · #103533 · protein
Dicty myosin II R238E.E459R mutant (with ADP.PI) in the pi release state
4PJK · Myosin-2 heavy chain: “Dicty myosin II R238E.E459R mutant (with ADP.PI) in the pi release state”. X-ray diffraction, 3 ligands (ADP, MG, PO4), 7 pockets (best druggability 0.77). MolNFT v1 #103533 on GenesisL1: 3D structure, binding…
- PDB
- 4PJK
- Type
- protein
- Length
- 713 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
- ADP, MG, PO4
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-2 heavy chain (EC 3.6.4.1) | protein | 713 | 45% helix, 16% strand | P08799 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 7 copies · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1094 | 0.77 | 0.80 | 93 | GOL |
| 2 | 385 | 0.65 | 0.79 | 54 | MG, ADP, PO4, GOL |
| 3 | 166 | 0.60 | 0.83 | 31 | PO4, GOL |
| 4 | 284 | 0.56 | 0.76 | 31 | empty |
| 5 | 85 | 0.36 | 0.75 | 17 | empty |
Compared structures
- 4PJK · Dicty myosin II R238E.E459R mutant (with ADP.Pi) in the Pi release state · 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 4PJK · PDBe 4PJK · UniProt P08799
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