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MolNFT v1 · #81635 · protein

Crystal structure of the urea channel from the human gastric pathogen helicobacter pylori

3UX4 · Acid-activated urea channel: “Crystal structure of the urea channel from the human gastric pathogen helicobacter pylori”. X-ray diffraction, 1 ligand (XP4), 10 pockets (best druggability 0.70). MolNFT v1 #81635 on GenesisL1: 3D…

PDB
3UX4
Type
protein
Length
540 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acid-activated urea channel
UniProt
P56874
Ligands
XP4
Pockets
10 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CAcid-activated urea channelprotein18073% helix, 0% strandP56874

Ligands and binding sites

  • XP4 · 1,2-dimyristoyl-sn-glycero-3-phosphate · ligand · 9 copies · chains A, C, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13460.700.8329empty
23300.690.8229empty
33200.690.8328empty
44080.660.7952empty
54220.650.7848empty

Interfaces

2 interfaces between chains.

  • A–B · 1376 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 1374 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3UX4 · Crystal structure of the urea channel from the human gastric pathogen Helicobacter pylori · the same entry in another collection · chain A against A, TM-score 1.00
  • P56874 · AlphaFold monomer V2.0 prediction for acid-activated urea channel (P56874) · a predicted model of the same protein · chain A against A, TM-score 0.94

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