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MolNFT v1 · #154565 · protein

Undocked inx-6 hemichannel in detergent

6KFG · Innexin-6: “Undocked inx-6 hemichannel in detergent”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #154565 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6KFG
Type
protein
Length
2,704 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Innexin-6
UniProt
Q9U3N4
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 60% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HInnexin-6protein33860% helix, 4% strandQ9U3N4

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19370.850.86118empty
26260.810.8683empty
35130.790.8664empty
49850.770.7993empty
59940.760.7881empty

Interfaces

8 interfaces between chains.

  • C–D · 1736 Ų buried · 10 hydrogen bonds · protein-protein
  • F–G · 1699 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1699 Ų buried · 8 hydrogen bonds · protein-protein
  • A–H · 1699 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 1694 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

  • 6KFG · Undocked INX-6 hemichannel in detergent · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9U3N4 · AlphaFold monomer V2.0 prediction for innexin-6 (Q9U3N4) · a predicted model of the same protein · chain A against A, TM-score 0.93

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