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MolNFT v1 · #63655 · protein

Structure of the C-terminus of adseverin

3FG6: “Structure of the C-terminus of adseverin”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.85). MolNFT v1 #63655 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3FG6
Type
protein
Length
2,375 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adseverin
UniProt
Q9Y6U3
Ligands
CA
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 6 distinct chains · 23% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, G, BAdseverinprotein29622% helix, 30% strandQ9Y6U3
CAdseverinprotein30323% helix, 30% strandQ9Y6U3
EAdseverinprotein28522% helix, 31% strandQ9Y6U3
FAdseverinprotein30025% helix, 29% strandQ9Y6U3
HAdseverinprotein30624% helix, 31% strandQ9Y6U3
DAdseverinprotein29323% helix, 33% strandQ9Y6U3

Ligands and binding sites

  • CA · Calcium ion · metal · 23 copies · chains A, H, C, G, E, F, D, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19710.850.86112empty
26150.790.8577CA
36750.780.8396CA
46240.770.8388empty
56710.760.8272empty

Interfaces

14 interfaces between chains.

  • E–F · 1302 Ų buried · 14 hydrogen bonds · protein-protein
  • A–H · 526 Ų buried · 7 hydrogen bonds · protein-protein
  • G–B · 429 Ų buried · 3 hydrogen bonds · protein-protein
  • E–H · 404 Ų buried · 5 hydrogen bonds · protein-protein
  • H–B · 403 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3FG6 · Structure of the C-terminus of Adseverin · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9Y6U3 · AlphaFold monomer V2.0 prediction for adseverin (Q9Y6U3) · a predicted model of the same protein · chain A against A, TM-score 0.98

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