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Ligand · BAU

BAU · 1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1H,3H)-dione

BAU, 1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1H,3H)-dione (C14 H16 N2 O4, 276.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
BAU
Formula
C14 H16 N2 O4
Class
ligand
Structures
8
PDB entries
4

Binding sites

BAU in 8 structures; the first of them:

  • 1U1C · Structure of E. coli uridine phosphorylase complexed to 5-benzylacyclouridine (BAU) · BAU A5400 · binds ILE69, THR94, THR95, GLY96, PHE162, GLN166, ARG168, TYR195 and 9 more
  • 3EUF · Crystal structure of BAU-bound human uridine phosphorylase 1 · BAU A400 · binds MET110, THR141, SER142, GLY143, PHE213, GLN217, ARG219, ILE247 and 11 more
  • 3P0E · Structure of hUPP2 in an active conformation with bound 5-benzylacyclouridine · BAU A400 · binds MET116, THR147, SER148, GLY149, PHE219, GLN223, ARG225, ILE253 and 9 more
  • 3P0F · Structure of hUPP2 in an inactive conformation with bound 5-benzylacyclouridine · BAU A400 · binds MET116, THR147, SER148, GLY149, PHE219, GLN223, ARG225, ILE253 and 7 more
  • 1U1C · Structure of E. COLI uridine phosphorylase complexed to 5- benzylacyclouridine (bau) · BAU A5400 · binds ILE69, THR94, THR95, GLY96, PHE162, GLN166, ARG168, TYR195 and 9 more
  • 3EUF · Crystal structure of bau-bound human uridine phosphorylase 1 · BAU A400 · binds MET110, THR141, SER142, GLY143, PHE213, GLN217, ARG219, ILE247 and 11 more
  • 3P0E · Structure of HUPP2 in an active conformation with bound 5- benzylacyclouridine · BAU A400 · binds MET116, THR147, SER148, GLY149, PHE219, GLN223, ARG225, ILE253 and 9 more
  • 3P0F · Structure of HUPP2 in an inactive conformation with bound 5- benzylacyclouridine · BAU A400 · binds MET116, THR147, SER148, GLY149, PHE219, GLN223, ARG225, ILE253 and 7 more

Residues it binds most

ARG 34, ILE 34, MET 34, PHE 34, THR 34, LEU 22, GLU 34, GLN 34, GLY 34, HIS 32 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • CO · Cobalt (II) ion
  • K · Potassium ion
  • MG · Magnesium ion

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