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Ligand · INR

INR · 2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid

INR, 2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid (C16 H10 N2 O5 S, 342.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
INR
Formula
C16 H10 N2 O5 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

INR in 6 structures; the first of them:

  • 1E9H · Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor… · INR A1298 · binds ILE10, VAL18, ALA31, LYS33, GLU51, VAL64, PHE80, GLU81 and 9 more
  • 1UZU · Glycogen Phosphorylase b in complex with indirubin-5'-sulphonate · INR A1000 · binds ASN282, PHE285, GLU287, GLU382, GLU572, ALA610, GLY612, TYR613 and 1 more
  • 1V0O · Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex · INR A2638 · binds ILE10, VAL18, ALA30, LYS32, VAL63, PHE79, GLU80, HIS81 and 8 more
  • 1E9H · Thr 160 phosphorylated CDK2 - human cyclin A3 complex with the inhibitor… · INR A1298 · binds ILE10, VAL18, ALA31, LYS33, GLU51, VAL64, PHE80, GLU81 and 9 more
  • 1UZU · Glycogen phosphorylase B in complex with indirubin-5'-sulphonate · INR A1000 · binds ASN282, PHE285, GLU287, GLU382, GLU572, ALA610, GLY612, TYR613 and 1 more
  • 1V0O · Structure of P. falciparum PFPK5-indirubin-5-sulphonate ligand complex · INR A2638 · binds ILE10, VAL18, ALA30, LYS32, VAL63, PHE79, GLU80, HIS81 and 8 more

Residues it binds most

ASP 8, ALA 10, GLU 10, LEU 8, LYS 8, VAL 8, PHE 10, GLN 8, HIS 8, ILE 8 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate

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