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Ligand · GHC

GHC · N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid

GHC, N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid (C20 H20 N4 O6 S2, 476.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
GHC
Formula
C20 H20 N4 O6 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

GHC in 4 structures; the first of them:

  • 3GHC · Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical… · GHC A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, ARG32, PHE34 and 11 more
  • 3GHV · Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex · GHC A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, LYS35 and 9 more
  • 3GHC · Design, synthesis, and X-ray crystal structure of classical and nonclassical… · GHC A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, ARG32, PHE34 and 11 more
  • 3GHV · Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex · GHC A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, LYS35 and 9 more

Residues it binds most

PHE 4, ILE 4, LEU 4, THR 4, VAL 4, ARG 4, ALA 4, GLU 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • GOL · Glycerol

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