MolNFT v1 · #171421 · protein
Smooth muscle myosin shutdown state heads region
6Z47 · Myosin heavy chain 11: “Smooth muscle myosin shutdown state heads region”. Electron microscopy, 3 ligands (ADP, MG, PO4), 20 pockets (best druggability 0.81). MolNFT v1 #171421 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6Z47
- Type
- protein
- Length
- 2,888 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin heavy chain 11; Myosin light chain smooth muscle isoform; Myosin light chain 9
- UniProt
- G1N5L2, Q6W5H0, G3URE9
- Ligands
- ADP, MG, PO4
- Pockets
- 20 · best druggability 0.81
Structure
electron microscopy · 4 distinct chains · 61% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Myosin heavy chain 11 | protein | 888 | 54% helix, 13% strand | G1N5L2 |
| C, D | Myosin light chain smooth muscle isoform | protein | 150 | 49% helix, 4% strand | Q6W5H0 |
| E, F | Myosin light chain 9 | protein | 149 | 58% helix, 5% strand | G3URE9 |
| G, H | Myosin heavy chain 11 | protein | 257 | 96% helix, 0% strand | G1N5L2 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B, E, F
- PO4 · Phosphate ion · ion · 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, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 986 | 0.81 | 0.82 | 93 | empty |
| 2 | 1081 | 0.81 | 0.82 | 90 | empty |
| 3 | 166 | 0.79 | 0.94 | 38 | empty |
| 4 | 545 | 0.78 | 0.85 | 63 | empty |
| 5 | 877 | 0.77 | 0.80 | 83 | empty |
Interfaces
16 interfaces between chains.
- G–H · 6768 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 3458 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 1985 Ų buried · 25 hydrogen bonds · protein-protein
- A–E · 1967 Ų buried · 20 hydrogen bonds · protein-protein
- B–F · 1926 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6Z47 · Smooth muscle myosin shutdown state heads region · the same entry in another collection · chain A against A, TM-score 1.00
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 G1N5L2
- Every structure of UniProt Q6W5H0
- Every structure of UniProt G3URE9
- Elsewhere: RCSB PDB 6Z47 · PDBe 6Z47 · UniProt G1N5L2 · UniProt Q6W5H0 · UniProt G3URE9
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