MolNFT v1 · #149168 · protein
Beta-cardiac myosin post-rigor
6FSA · Myosin-7: “Beta-cardiac myosin post-rigor”. X-ray diffraction, 2 ligands (ADP, MG), 20 pockets (best druggability 0.80). MolNFT v1 #149168 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6FSA
- Type
- protein
- Length
- 1,843 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-7; Myosin light chain 3
- UniProt
- Q9BE39, P85100
- Ligands
- ADP, MG
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-7 | protein | 783 | 49% helix, 15% strand | Q9BE39 |
| B | Myosin-7 | protein | 756 | 49% helix, 15% strand | Q9BE39 |
| D | Myosin light chain 3 | protein | 154 | 46% helix, 5% strand | P85100 |
| H | Myosin light chain 3 | protein | 150 | 47% helix, 5% strand | P85100 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- FMT · Formic acid · additive · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.80 | 0.81 | 113 | MG, ADP |
| 2 | 1190 | 0.78 | 0.80 | 117 | MG, ADP, FMT |
| 3 | 381 | 0.77 | 0.87 | 48 | empty |
| 4 | 347 | 0.76 | 0.86 | 47 | empty |
| 5 | 91 | 0.61 | 0.88 | 25 | EDO |
Interfaces
3 interfaces between chains.
- A–D · 1587 Ų buried · 21 hydrogen bonds · protein-protein
- B–H · 1366 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1209 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
Compared structures
- 6FSA · Beta-Cardiac myosin post-rigor · the same entry in another collection · chain H against H, TM-score 1.00
- P85100 · AlphaFold monomer V2.0 prediction for myosin light chain 3 (P85100) · a predicted model of the same protein · chain H against A, TM-score 0.97
- Q9BE39 · AlphaFold monomer V2.0 prediction for myosin-7 (Q9BE39) · a predicted model of the same protein · chain B against A, TM-score 0.86
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 Q9BE39
- Every structure of UniProt P85100
- Elsewhere: RCSB PDB 6FSA · PDBe 6FSA · UniProt Q9BE39 · UniProt P85100
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