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Ligand · IG3

IG3 · ~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide

IG3, ~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide (C26 H23 N7 O4 S3, 593.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
IG3
Formula
C26 H23 N7 O4 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

IG3 in 2 structures; the first of them:

  • 7Z75 · PI3KC2a core in complex with PITCOIN3 · IG3 A1101 · binds PHE730, SER731, LYS738, GLU749, GLU750, ASN752, MET754, PHE790 and 12 more
  • 7Z75 · PI3KC2A core in complex with PITCOIN3 · IG3 A1101 · binds SER731, LYS738, GLU750, ASN752, MET754, PHE790, GLU803, LEU804 and 7 more

Residues it binds most

GLU 2, MET 2, PHE 2, SER 2, VAL 2, ALA 2, ASN 2, ILE 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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