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Designed pentameric proton channel llql

Analyse Designed pentameric proton channel llql in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7UDV
Type
protein
Length
250 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
De novo designed proton channel llql
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 92% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADe novo designed proton channel llqlprotein2492% helix, 0% strand—
B, C, D, F, H, IDe novo designed proton channel llqlprotein2592% helix, 0% strand—
E, GDe novo designed proton channel llqlprotein2592% helix, 0% strand—
JDe novo designed proton channel llqlprotein2692% helix, 0% strand—

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11210.740.9225empty
21130.720.9225empty
32300.600.7926empty
4560.550.8815empty
51050.430.7616empty

Interfaces

23 interfaces between chains.

  • F–J · 609 Ų buried · 2 hydrogen bonds · protein-protein
  • A–E · 609 Ų buried · 1 hydrogen bond · protein-protein
  • I–J · 607 Ų buried · 2 hydrogen bonds · protein-protein
  • F–G · 607 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 602 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 7UDV · Designed pentameric proton channel LLQL · the same entry in another collection · chain G against G, TM-score 1.00

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