Research workbench
Crystal structure of apo-ia-actin complex
Analyse Crystal structure of apo-ia-actin complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GY2
- Type
- protein
- Length
- 771 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iota toxin component ia; Actin, alpha skeletal muscle
- EC
- 2.4.2.31
- UniProt
- Q46220, P68135
- Ligands
- ATP, LAR, CA, PO4
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iota toxin component ia (EC 2.4.2.31) | protein | 411 | 38% helix, 27% strand | Q46220 |
| B | Actin, alpha skeletal muscle | protein | 360 | 44% helix, 18% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains B
- LAR · Latrunculin A · ligand · chains B
- CA · Calcium ion · metal · chains B
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.80 | 0.81 | 116 | empty |
| 2 | 406 | 0.76 | 0.85 | 54 | CA, ATP, LAR |
| 3 | 391 | 0.62 | 0.77 | 48 | empty |
| 4 | 248 | 0.54 | 0.76 | 27 | empty |
| 5 | 192 | 0.46 | 0.74 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 777 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
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 Q46220
- Every structure of UniProt P68135
- Elsewhere: RCSB PDB 4GY2 · PDBe 4GY2 · UniProt Q46220 · UniProt P68135
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