MolNFT v1 · #173015 · protein
Cryo-EM structure of the divergent actomyosin complex from plasmodium falciparum myosin a in the rigor state
7ALN · Actin-1: “Cryo-EM structure of the divergent actomyosin complex from plasmodium falciparum myosin a in the rigor state”. Electron microscopy, 3 ligands (ADP, 9UE, MG), 20 pockets (best druggability 0.81). MolNFT v1 #173015 on…
- PDB
- 7ALN
- Type
- protein
- Length
- 2,616 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin-1; Myosin-a
- UniProt
- Q8I4X0, Q8IDR3
- Ligands
- ADP, 9UE, MG
- Pockets
- 20 · best druggability 0.81
Structure
electron microscopy · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Actin-1 | protein | 370 | 40% helix, 18% strand | Q8I4X0 |
| F | Myosin-a | protein | 766 | 42% helix, 16% strand | Q8IDR3 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains A, B, C, D, E
- 9UE · Jasplakinolide · ligand · 3 copies · chains A, B, D, C, E
- MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 475 | 0.81 | 0.88 | 45 | empty |
| 2 | 709 | 0.79 | 0.84 | 81 | empty |
| 3 | 640 | 0.79 | 0.84 | 77 | empty |
| 4 | 236 | 0.76 | 0.90 | 50 | ADP, MG |
| 5 | 86 | 0.73 | 0.96 | 27 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1235 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 1222 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 1213 Ų buried · 11 hydrogen bonds · protein-protein
- A–F · 1195 Ų buried · 16 hydrogen bonds · protein-protein
- C–E · 608 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 1 modified (disulfide, phosphorylation).
Compared structures
- 7ALN · Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A… · the same entry in another collection · chain F against F, TM-score 1.00
- Q8I4X0 · AlphaFold monomer V2.0 prediction for actin-1 (Q8I4X0) · a predicted model of the same protein · chain A against A, TM-score 0.96
- Q8IDR3 · AlphaFold monomer V2.0 prediction for myosin-a (Q8IDR3) · a predicted model of the same protein · chain F against A, TM-score 0.94
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 Q8I4X0
- Every structure of UniProt Q8IDR3
- Elsewhere: RCSB PDB 7ALN · PDBe 7ALN · UniProt Q8I4X0 · UniProt Q8IDR3
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