Research workbench
Crystal structure of phenamacril-bound F. graminearum myosin I
Analyse Crystal structure of phenamacril-bound F. graminearum myosin I in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UI4
- Type
- protein
- Length
- 817 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin I; Calmodulin
- UniProt
- A0A098D3M4, I1RE19
- Ligands
- Q8V, AGS, MG
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin I | protein | 692 | 51% helix, 15% strand | A0A098D3M4 |
| B | Calmodulin | protein | 125 | 62% helix, 8% strand | I1RE19 |
Ligands and binding sites
- Q8V · ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate · ligand · chains A
- AGS · Phosphothiophosphoric acid-adenylate ester · 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
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 870 | 0.79 | 0.82 | 72 | empty |
| 2 | 1070 | 0.76 | 0.79 | 91 | Q8V |
| 3 | 765 | 0.72 | 0.78 | 70 | empty |
| 4 | 379 | 0.64 | 0.79 | 50 | MG, AGS |
| 5 | 184 | 0.64 | 0.84 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1146 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6UI4 · Crystal structure of phenamacril-bound F. graminearum myosin I · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A098D3M4
- Every structure of UniProt I1RE19
- Elsewhere: RCSB PDB 6UI4 · PDBe 6UI4 · UniProt A0A098D3M4 · UniProt I1RE19
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