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The cytotoxin make from vibrio cholerae

Analyse The cytotoxin make from vibrio cholerae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TAO
Type
protein
Length
691 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-hemolytic enterotoxin lytic component L1
UniProt
A0A0F4FI88
Ligands
NI, SO4
Pockets
6 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANon-hemolytic enterotoxin lytic component L1protein34574% helix, 10% strandA0A0F4FI88
BNon-hemolytic enterotoxin lytic component L1protein34675% helix, 10% strandA0A0F4FI88

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 4 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14240.670.7954empty
23980.640.7849empty
3630.540.8817empty
41940.500.7731empty
51380.440.7626empty

Interfaces

1 interface between chains.

  • A–B · 1398 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 6TAO · The cytotoxin MakE from Vibrio cholerae · the same entry in another collection · chain A against A, TM-score 1.00

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