MolNFT v1 · #170613 · protein
Plasmodium falciparum myosin a full-length, post-rigor state
6YCY · Myosin-a: “Plasmodium falciparum myosin a full-length, post-rigor state”. X-ray diffraction, 3 ligands (ADP, MG, SO4), 12 pockets (best druggability 0.82). MolNFT v1 #170613 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6YCY
- Type
- protein
- Length
- 1,070 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-a; Myosin a tail domain interacting protein; Myosin essential light chain elc
- UniProt
- Q8IDR3, Q8I4W8, Q8IJM4
- Ligands
- ADP, MG, SO4
- Pockets
- 12 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-a | protein | 808 | 50% helix, 15% strand | Q8IDR3 |
| B | Myosin a tail domain interacting protein | protein | 131 | 62% helix, 9% strand | Q8I4W8 |
| E | Myosin essential light chain elc | protein | 131 | 52% helix, 5% strand | Q8IJM4 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, E
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.82 | 0.84 | 109 | SO4, MG, ADP |
| 2 | 1170 | 0.80 | 0.81 | 86 | SO4 |
| 3 | 1080 | 0.76 | 0.78 | 73 | EDO |
| 4 | 364 | 0.64 | 0.79 | 51 | empty |
| 5 | 254 | 0.54 | 0.77 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–E · 2123 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1484 Ų buried · 18 hydrogen bonds · protein-protein
- B–E · 379 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
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 Q8IDR3
- Every structure of UniProt Q8I4W8
- Every structure of UniProt Q8IJM4
- Elsewhere: RCSB PDB 6YCY · PDBe 6YCY · UniProt Q8IDR3 · UniProt Q8I4W8 · UniProt Q8IJM4
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