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Mechanosensitive channel mscs solubilized with lmng in open conformation

Analyse Mechanosensitive channel mscs solubilized with lmng in open conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7ONJ
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).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, G, B, C, D, E, FMechanosensitive channel of small conductance (mscs)protein26253% helix, 24% strandB6I756

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 · 35 copies · chains A, B, G, F, C, D, E
  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine · ligand · 7 copies · chains A, B, C, G, D, E, F
  • LMT · Dodecyl-beta-D-maltoside · additive · 21 copies · chains A, G, B, F, 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, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111160.790.80107LMT, PEE
28950.770.8088PEE
310500.760.7883PEE, LMT
49690.760.7871PEE, LMT
59570.760.7876LMT, PEE

Interfaces

14 interfaces between chains.

  • A–G · 2365 Ų buried · 25 hydrogen bonds · protein-protein
  • E–F · 2364 Ų buried · 21 hydrogen bonds · protein-protein
  • D–E · 2359 Ų buried · 23 hydrogen bonds · protein-protein
  • C–D · 2357 Ų buried · 23 hydrogen bonds · protein-protein
  • B–C · 2345 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 7ONJ · Mechanosensitive channel MscS solubilized with LMNG in open conformation · the same entry in another collection · chain A against A, TM-score 1.00

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