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Crystal structure of uridine phosphorylase from schistosoma mansoni in apo form

Analyse Crystal structure of uridine phosphorylase from schistosoma mansoni in apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4TXH
Type
protein
Length
1,145 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uridine phosphorylase
EC
2.4.2.3
UniProt
G4VGI0
Ligands
SO4
Pockets
14 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 34% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUridine phosphorylase (EC 2.4.2.3)protein28935% helix, 25% strandG4VGI0
BUridine phosphorylase (EC 2.4.2.3)protein29034% helix, 25% strandG4VGI0
CUridine phosphorylase (EC 2.4.2.3)protein28635% helix, 25% strandG4VGI0
DUridine phosphorylase (EC 2.4.2.3)protein28031% helix, 24% strandG4VGI0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110690.800.81132empty
21000.770.9827empty
3990.760.9727SO4
4990.760.9727SO4
56750.750.8189empty

Interfaces

4 interfaces between chains.

  • A–B · 2763 Ų buried · 30 hydrogen bonds · protein-protein
  • C–D · 2604 Ų buried · 30 hydrogen bonds · protein-protein
  • A–D · 159 Ų buried · 1 hydrogen bond · protein-protein
  • B–D · 63 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4TXH · Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form · the same entry in another collection · chain D against D, TM-score 1.00
  • G4VGI0 · AlphaFold monomer V2.0 prediction for uridine phosphorylase a (G4VGI0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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