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Ligand · IUR

IUR · 5-iodouracil

IUR, 5-iodouracil (C4 H3 I N2 O2, 238.0 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 it binds most and the ligands found with it.

Component
IUR
Formula
C4 H3 I N2 O2
Class
ligand
Structures
8
PDB entries
4

Binding sites

IUR in 8 structures; the first of them:

  • 1GTE · Dihydropyrimidine dehydrogenase (dpd) from pig, binary complex with 5-iodouracil · IUR A1034 · binds ASN609, GLU611, LEU612, ILE613, ASN668, SER670, ASN736, THR737 and 1 more
  • 1GTH · Dihydropyrimidine dehydrogenase (dpd) from pig, ternary complex with NADPH and… · IUR C1034 · binds ASN609, GLU611, LEU612, ILE613, ASN668, SER670, CYS671, PRO672 and 5 more
  • 2WK6 · Structural features of native human thymidine phosphorylase and in complex with… · IUR A1482 · binds HIS116, SER117, THR118, LEU148, TYR199, ARG202, VAL208, LEU213 and 5 more
  • 7PCP · Crystal structure of CD73 in complex with 5-iodouracil in the open form · IUR A605 · binds ASN390, GLY392, GLY393, ARG395, PHE417, PHE500
  • 1GTE · Dihydropyrimidine dehydrogenase (dpd) from pig, binary complex with 5- iodouracil · IUR A1034 · binds ASN609, GLU611, LEU612, ILE613, ASN668, SER670, ASN736, THR737 and 1 more
  • 1GTH · Dihydropyrimidine dehydrogenase (dpd) from pig, ternary complex with NADPH and… · IUR C1034 · binds ASN609, GLU611, LEU612, ILE613, ASN668, SER670, CYS671, PRO672 and 5 more
  • 2WK6 · Structural features of native human thymidine phosphorylase and in complex with… · IUR A1482 · binds HIS116, SER117, THR118, LEU148, TYR199, ARG202, VAL208, LEU213 and 5 more
  • 7PCP · Crystal structure of CD73 in complex with 5-iodouracil in the open form · IUR A605 · binds ASN390, GLY392, GLY393, PHE417, PHE500

Residues it binds most

ASN 12, ILE 14, LEU 14, SER 14, GLY 12, THR 14, GLU 10, VAL 4, HIS 6, ARG 5 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FMN · Flavin mononucleotide
  • SF4 · Iron/sulfur cluster
  • IDH · (5S)-5-iododihydro-2,4(1H,3H)-pyrimidinedione
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • URA · Uracil
  • CA · Calcium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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