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MolNFT v1 · #162861 · protein

Structure of the mechanosensitive channel mscs embedded in the membrane bilayer

6RLD · Small-conductance mechanosensitive channel: “Structure of the mechanosensitive channel mscs embedded in the membrane bilayer”. Electron microscopy, 1 ligand (PCW), 20 pockets (best druggability 0.75). MolNFT v1 #162861 on GenesisL1…

PDB
6RLD
Type
protein
Length
1,855 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small-conductance mechanosensitive channel
UniProt
P0C0S1
Ligands
PCW
Pockets
20 · best druggability 0.75

Structure

electron microscopy · 1 distinct chain · 49% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, GSmall-conductance mechanosensitive channelprotein26549% helix, 23% strandP0C0S1

Ligands and binding sites

  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 21 copies · chains A, F, G, B, 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
13120.750.8521empty
210840.710.7550empty
3960.630.8918empty
41230.620.8623empty
51090.620.8720empty

Interfaces

14 interfaces between chains.

  • A–G · 2841 Ų buried · 24 hydrogen bonds · protein-protein
  • C–D · 2821 Ų buried · 24 hydrogen bonds · protein-protein
  • D–E · 2817 Ų buried · 24 hydrogen bonds · protein-protein
  • E–F · 2811 Ų buried · 24 hydrogen bonds · protein-protein
  • F–G · 2810 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 6RLD · Structure of the mechanosensitive channel mscs embedded in the membrane bilayer · the same entry in another collection · chain G against G, TM-score 1.00
  • P0C0S1 · AlphaFold monomer V2.0 prediction for small-conductance mechanosensitive channel (P0C0S1) · a predicted model of the same protein · chain A against A, TM-score 0.81

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