MolNFT v1 · #12548 · protein
Scallop myosin in the near rigor conformation
1KK7 · Myosin heavy chain, striated muscle: “Scallop myosin in the near rigor conformation”. X-ray diffraction, 3 ligands (MG, CA, SO4), 13 pockets (best druggability 0.79). MolNFT v1 #12548 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1KK7
- Type
- protein
- Length
- 1,101 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin heavy chain, striated muscle; Myosin regulatory light chain, striated adductor…
- UniProt
- P24733, P13543, P07291
- Ligands
- MG, CA, SO4
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin heavy chain, striated muscle | protein | 803 | 44% helix, 10% strand | P24733 |
| Y | Myosin regulatory light chain, striated adductor muscle | protein | 144 | 49% helix, 4% strand | P13543 |
| Z | Myosin essential light chain, striated adductor muscle | protein | 154 | 53% helix, 4% strand | P07291 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, Y
- CA · Calcium ion · metal · chains Z
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 909 | 0.79 | 0.81 | 104 | SO4, MG |
| 2 | 117 | 0.76 | 0.96 | 18 | empty |
| 3 | 89 | 0.74 | 0.96 | 25 | empty |
| 4 | 830 | 0.73 | 0.78 | 96 | empty |
| 5 | 63 | 0.67 | 0.94 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–Z · 1954 Ų buried · 17 hydrogen bonds · protein-protein
- A–Y · 1474 Ų buried · 11 hydrogen bonds · protein-protein
- Y–Z · 185 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1KK7 · Scallop myosin in the near rigor conformation · the same entry in another collection · chain A against A, TM-score 1.00
- P07291 · AlphaFold monomer V2.0 prediction for myosin essential light chain, striated adductor… · a predicted model of the same protein · chain Z against A, TM-score 0.98
- P13543 · AlphaFold monomer V2.0 prediction for myosin regulatory light chain, striated adductor… · a predicted model of the same protein · chain Y against A, TM-score 0.82
- P24733 · AlphaFold monomer V2.0 prediction for myosin heavy chain, striated muscle (P24733) · a predicted model of the same protein · chain A against A, TM-score 0.81
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 P24733
- Every structure of UniProt P13543
- Every structure of UniProt P07291
- Elsewhere: RCSB PDB 1KK7 · PDBe 1KK7 · UniProt P24733 · UniProt P13543 · UniProt P07291
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