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Mechanosensitive channel mscs solubilized with lmng in open conformation with added lipid
Analyse Mechanosensitive channel mscs solubilized with lmng in open conformation with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OOA
- Type
- protein
- Length
- 1,834 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mechanosensitive channel of small conductance (mscs)
- UniProt
- B6I756
- Ligands
- AV0, PEE
- Pockets
- 20 · best druggability 0.79
Structure
electron microscopy · 1 distinct chain · 53% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Mechanosensitive channel of small conductance (mscs) | protein | 262 | 53% helix, 24% strand | B6I756 |
Ligands and binding sites
- AV0 · 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside · ligand · 21 copies · chains A, B, G, C, D, E, F
- PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine · ligand · 7 copies · chains A, B, C, D, E, F, G
- LMT · Dodecyl-beta-D-maltoside · additive · 7 copies · chains A, B, G, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1063 | 0.79 | 0.80 | 104 | PEE |
| 2 | 1182 | 0.79 | 0.80 | 123 | PEE |
| 3 | 363 | 0.74 | 0.83 | 21 | empty |
| 4 | 299 | 0.69 | 0.83 | 43 | empty |
| 5 | 127 | 0.64 | 0.87 | 22 | empty |
Interfaces
14 interfaces between chains.
- E–F · 2369 Ų buried · 23 hydrogen bonds · protein-protein
- A–G · 2366 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2355 Ų buried · 22 hydrogen bonds · protein-protein
- D–E · 2351 Ų buried · 22 hydrogen bonds · protein-protein
- F–G · 2338 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 7OOA · Mechanosensitive channel MscS solubilized with LMNG in open conformation with added lipid · 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 B6I756
- Elsewhere: RCSB PDB 7OOA · PDBe 7OOA · UniProt B6I756
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