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Structural and catalytic analysis of two diverse uridine phosphorylases in the oomycete phytophthora capsici.

Analyse Structural and catalytic analysis of two diverse uridine phosphorylases in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6K5K
Type
protein
Length
1,151 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uridine phosphorylase
EC
2.4.2.3
UniProt
A0A410UCT3
Ligands
DUR, PO4
Pockets
11 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DUridine phosphorylase (EC 2.4.2.3)protein28733% helix, 26% strandA0A410UCT3
BUridine phosphorylase (EC 2.4.2.3)protein28831% helix, 26% strandA0A410UCT3
CUridine phosphorylase (EC 2.4.2.3)protein28932% helix, 26% strandA0A410UCT3

Ligands and binding sites

  • DUR · 2'-deoxyuridine · ligand · 4 copies · chains A, C, B, D
  • PO4 · Phosphate ion · ion · 4 copies · chains A, C, B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13570.810.9140empty
23550.810.9136empty
33850.690.8143PO4, DUR
43080.690.8344empty
52310.650.8331empty

Interfaces

5 interfaces between chains.

  • A–C · 2589 Ų buried · 27 hydrogen bonds · protein-protein
  • B–D · 2528 Ų buried · 26 hydrogen bonds · protein-protein
  • A–B · 582 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 69 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 66 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6K5K · Structural and catalytic analysis of two diverse uridine phosphorylases in the oomycete… · the same entry in another collection · chain A against A, TM-score 1.00

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