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MolNFT v1 · #10938 · protein

Anthrax toxin lethal factor

1J7N · Lethal factor precursor: “Anthrax toxin lethal factor”. X-ray diffraction, 2 ligands (ZN, SO4), 20 pockets (best druggability 0.84). MolNFT v1 #10938 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1J7N
Type
protein
Length
1,461 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lethal factor precursor
UniProt
P15917
Ligands
ZN, SO4
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALethal factor precursorprotein72552% helix, 14% strandP15917
BLethal factor precursorprotein73654% helix, 13% strandP15917

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, 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, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15610.840.9070SO4
22410.770.9034empty
33730.660.8054empty
4520.660.9620empty
52300.630.8234empty

Interfaces

1 interface between chains.

  • A–B · 1324 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 1J7N · Anthrax Toxin Lethal factor · the same entry in another collection · chain A against A, TM-score 1.00
  • P15917 · AlphaFold monomer V2.0 prediction for lethal factor (P15917) · a predicted model of the same protein · chain B against A, TM-score 0.99

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