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MolNFT v1 · #172278 · protein

Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A) arrangement

6ZXL · Protective antigen: “Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A) arrangement”. Electron microscopy, 20 pockets (best druggability 0.84). MolNFT v1 #172278 on GenesisL1: 3D structure, binding…

PDB
6ZXL
Type
protein
Length
5,772 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protective antigen; Lethal factor
EC
3.4.24.83
UniProt
Q68GS1, P15917
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 5 distinct chains · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, E, F, GProtective antigenprotein52919% helix, 30% strandQ68GS1
DProtective antigenprotein52817% helix, 30% strandQ68GS1
HLethal factor (EC 3.4.24.83)protein69952% helix, 10% strandP15917
ILethal factor (EC 3.4.24.83)protein71051% helix, 14% strandP15917
JLethal factor (EC 3.4.24.83)protein66151% helix, 14% strandP15917

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16660.840.8882empty
28800.840.8699empty
38200.840.8690empty
47450.840.8794empty
52780.830.9451empty

Interfaces

15 interfaces between chains.

  • E–F · 1386 Ų buried · 11 hydrogen bonds · protein-protein
  • F–G · 1302 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 1278 Ų buried · 10 hydrogen bonds · protein-protein
  • D–E · 1270 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 1266 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6ZXL · Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A)… · the same entry in another collection · chain J against J, TM-score 1.00
  • P15917 · AlphaFold monomer V2.0 prediction for lethal factor (P15917) · a predicted model of the same protein · chain H against A, TM-score 0.97

Analyse

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