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MolNFT v1 · #84825 · protein

Crystal structure of the pore-forming toxin frac from actinia fragacea (form 2)

3ZWG · Fragaceatoxin C: “Crystal structure of the pore-forming toxin frac from actinia fragacea (form 2)”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #84825 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3ZWG
Type
protein
Length
2,670 residues
Chains
15
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fragaceatoxin C
UniProt
B9W5G6
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, OFragaceatoxin Cprotein17812% helix, 47% strandB9W5G6

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19850.730.76103empty
22900.610.7946empty
33500.590.7739empty
43820.560.7548empty
53730.550.7452empty

Interfaces

26 interfaces between chains.

  • A–B · 752 Ų buried · 12 hydrogen bonds · protein-protein
  • N–O · 748 Ų buried · 13 hydrogen bonds · protein-protein
  • E–F · 740 Ų buried · 10 hydrogen bonds · protein-protein
  • M–N · 728 Ų buried · 13 hydrogen bonds · protein-protein
  • D–E · 721 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3ZWG · Crystal structure of the pore-forming toxin FraC from Actinia fragacea (form 2) · the same entry in another collection · chain K against K, TM-score 1.00

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