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Sheep connexin-46 at 2.5 ångströms resolution, lipid class 3

Analyse Sheep connexin-46 at 2.5 ångströms resolution, lipid class 3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JN1
Type
protein
Length
2,304 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gap junction alpha-3 protein
UniProt
Q9TU17
Ligands
MC3
Pockets
20 · best druggability 0.61

Structure

electron microscopy · 1 distinct chain · 71% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, LGap junction alpha-3 proteinprotein19271% helix, 5% strandQ9TU17

Ligands and binding sites

  • MC3 · 1,2-dimyristoyl-rac-glycero-3-phosphocholine · ligand · 144 copies · chains A, B, F, C, D, E, G, H, L, I, J, K

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13580.610.7734empty
23330.600.7733empty
33070.590.7734empty
43130.580.7630empty
53060.580.7731empty

Interfaces

24 interfaces between chains.

  • A–F · 1371 Ų buried · 18 hydrogen bonds · protein-protein
  • G–L · 1369 Ų buried · 18 hydrogen bonds · protein-protein
  • E–F · 1364 Ų buried · 18 hydrogen bonds · protein-protein
  • K–L · 1363 Ų buried · 18 hydrogen bonds · protein-protein
  • H–I · 1363 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 disulfide (disulfide).

Compared structures

  • 7JN1 · Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 3 · the same entry in another collection · chain L against L, TM-score 1.00

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