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MolNFT v1 · #99081 · protein

Crystal structure of copper-bound L66S mutant toxin from helicobacter pylori

4LSY · Uncharacterized protein, toxin: “Crystal structure of copper-bound L66S mutant toxin from helicobacter pylori”. X-ray diffraction, 1 ligand (CU), 1 pocket (best druggability 0.54). MolNFT v1 #99081 on GenesisL1: 3D structure…

PDB
4LSY
Type
protein
Length
176 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein, toxin
UniProt
O25554
Ligands
CU
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUncharacterized protein, toxinprotein8838% helix, 32% strandO25554

Ligands and binding sites

  • CU · Copper (II) ion · metal · chains B
  • FLC · Citrate anion · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12030.540.7932FLC, CU

Interfaces

1 interface between chains.

  • A–B · 415 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 4LSY · Crystal structure of copper-bound L66S mutant toxin from Helicobacter pylori · the same entry in another collection · chain A against A, TM-score 1.00

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