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Urate oxidase azaxanthine complex under 600 bar (60 mpa) of argon

Analyse Urate oxidase azaxanthine complex under 600 bar (60 mpa) of argon in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PUF
Type
protein
Length
590 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uricase
EC
1.7.3.3
UniProt
Q00511
Ligands
ACE, AZA, NA, AR
Pockets
6 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUricase (EC 1.7.3.3)protein29528% helix, 39% strandQ00511

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains A, B
  • AZA · 8-azaxanthine · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • AR · Argon · ion · 4 copies · chains A, B

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
12040.570.8022empty
21930.550.7922empty
31920.530.7828AZA
41710.500.7722AZA
5790.310.7318empty

Interfaces

1 interface between chains.

  • A–B · 2719 Ų buried · 42 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 7PUF · urate oxidase azaxanthine complex under 600 bar (60 MPa) of argon · the same entry in another collection · chain A against A, TM-score 1.00

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