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E. COLI uridine phosphorylase: 2'-deoxyuridine phosphate complex

Analyse E. COLI uridine phosphorylase: 2'-deoxyuridine phosphate complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1RXS
Type
protein
Length
7,352 residues
Chains
30
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uridine phosphorylase
EC
2.4.2.3
UniProt
P12758
Ligands
DUR, V7O, K, PO4
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, d, L, m, oUridine phosphorylase (EC 2.4.2.3)protein25034% helix, 29% strandP12758
a, b, c, e, G, P, h, I, j, k, l, MUridine phosphorylase (EC 2.4.2.3)protein24232% helix, 30% strandP12758
B, C, D, E, F, R, H, i, J, K, N, Q, OUridine phosphorylase (EC 2.4.2.3)protein24634% helix, 30% strandP12758

Ligands and binding sites

  • DUR · 2'-deoxyuridine · ligand · 25 copies · chains A, a, B, b, C, c, D, d, E, e, F, R, G, P, H, h, I, i, J, j, K, k, L, l, M, m, N, Q, O, o
  • V7O · Meta vanadate · ligand · 20 copies · chains A, B, C, a, b, c, D, E, F, d, e, R, G, H, I, P, h, i, J, K, L, j, k, l, M, N, O, m, Q, o
  • K · Potassium ion · metal · 15 copies · chains A, a, B, b, C, c, D, d, E, e, F, R, G, P, H, h, I, i, J, j, K, k, L, l, M, m, N, Q, O, o
  • PO4 · Phosphate ion · ion · 25 copies · chains A, a, B, b, C, c, D, d, E, e, F, R, G, P, H, h, I, i, J, j, K, k, L, l, M, m, N, Q, O, o

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19820.810.8289PO4, DUR
210310.800.81110V7O
39580.790.81106V7O
48920.790.81103V7O
58880.790.81102V7O

Interfaces

75 interfaces between chains.

  • H–h · 2098 Ų buried · 19 hydrogen bonds · protein-protein
  • I–i · 2091 Ų buried · 19 hydrogen bonds · protein-protein
  • J–j · 2091 Ų buried · 19 hydrogen bonds · protein-protein
  • G–P · 2089 Ų buried · 21 hydrogen bonds · protein-protein
  • B–b · 2088 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 1RXS · E. coli uridine phosphorylase: 2'-deoxyuridine phosphate complex · the same entry in another collection · chain F against F, TM-score 1.00

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