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Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase

Analyse Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IWU
Type
protein
Length
912 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-hydroxyisourate hydrolase
EC
3.5.2.17
UniProt
Q06S87
Pockets
6 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H5-hydroxyisourate hydrolase (EC 3.5.2.17)protein1149% helix, 43% strandQ06S87

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13780.790.8961empty
29400.760.7969empty
32700.750.8939empty
41150.750.9637empty
52510.740.8832empty

Interfaces

16 interfaces between chains.

  • A–B · 937 Ų buried · 10 hydrogen bonds · protein-protein
  • G–H · 931 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 931 Ų buried · 11 hydrogen bonds · protein-protein
  • E–F · 930 Ų buried · 10 hydrogen bonds · protein-protein
  • B–F · 420 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3IWU · Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase · the same entry in another collection · chain H against H, TM-score 1.00
  • Q06S87 · AlphaFold monomer V2.0 prediction for 5-hydroxyisourate hydrolase (Q06S87) · a predicted model of the same protein · chain A against A, TM-score 1.00

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