Research workbench
Crystal structure of rigor-like squid myosin S1
Analyse Crystal structure of rigor-like squid myosin S1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I5G
- Type
- protein
- Length
- 1,109 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin heavy chain isoform a; Myosin regulatory light chain lc-2, mantle muscle; Myosin…
- UniProt
- O44934, P08052, P05945
- Ligands
- CA
- Pockets
- 14 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin heavy chain isoform a | protein | 808 | 49% helix, 14% strand | O44934 |
| B | Myosin regulatory light chain lc-2, mantle muscle | protein | 145 | 50% helix, 3% strand | P08052 |
| C | Myosin catalytic light chain lc-1, mantle muscle | protein | 156 | 54% helix, 5% strand | P05945 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1079 | 0.78 | 0.79 | 112 | empty |
| 2 | 367 | 0.72 | 0.83 | 52 | empty |
| 3 | 219 | 0.68 | 0.85 | 28 | empty |
| 4 | 273 | 0.64 | 0.81 | 30 | empty |
| 5 | 157 | 0.60 | 0.84 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2230 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1917 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 242 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3I5G · Crystal structure of rigor-like squid myosin S1 · the same entry in another collection · chain A against A, TM-score 1.00
- P08052 · AlphaFold monomer V2.0 prediction for myosin regulatory light chain lc-2, mantle muscle… · a predicted model of the same protein · chain B against A, TM-score 0.62
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 O44934
- Every structure of UniProt P08052
- Every structure of UniProt P05945
- Elsewhere: RCSB PDB 3I5G · PDBe 3I5G · UniProt O44934 · UniProt P08052 · UniProt P05945
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