MolNFT v1 · #10196 · protein
The X-ray crystal structure of the complex between rabbit skeletal muscle actin and latrunculin a at 2.85 a resolution
1IJJ · Actin, alpha skeletal muscle: “The X-ray crystal structure of the complex between rabbit skeletal muscle actin and latrunculin a at 2.85 a…”. X-ray diffraction, 3 ligands (ATP, LAR, MG), 5 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 1IJJ
- Type
- protein
- Length
- 734 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle
- UniProt
- P68135
- Ligands
- ATP, LAR, MG
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin, alpha skeletal muscle | protein | 363 | 42% helix, 18% strand | P68135 |
| B | Actin, alpha skeletal muscle | protein | 371 | 39% helix, 18% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- LAR · Latrunculin A · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.73 | 0.84 | 55 | MG, ATP, LAR |
| 2 | 389 | 0.71 | 0.82 | 55 | MG, ATP, LAR |
| 3 | 197 | 0.54 | 0.78 | 29 | empty |
| 4 | 129 | 0.49 | 0.79 | 23 | empty |
| 5 | 52 | 0.40 | 0.81 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 637 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1IJJ · The X-ray crystal structure of the complex between rabbit skeletal muscle actin and… · the same entry in another collection · chain A against A, TM-score 1.00
- P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P68135
- Elsewhere: RCSB PDB 1IJJ · PDBe 1IJJ · UniProt P68135
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