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Ligand · CTI

CTI · 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium

CTI, 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium (C21 H18 N O4 +1, 348.4 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
CTI
Formula
C21 H18 N O4 +1
Class
ligand
Structures
12
PDB entries
7

Binding sites

CTI in 12 structures; the first of them:

  • 3ARW · Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors… · CTI A606 · binds SER204, TRP275, THR276, ASP392, TRP397, ARG463, GLU498
  • 3AS1 · Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors… · CTI A606 · binds ASP392, TRP397, ASN398, ARG463
  • 4D9Y · The crystal structure of Chelerythrine bound to DNA d(CGTACG) · CTI A201 · binds DC105, DG106, DG208
  • 4PDZ · Crystal Structure of Calcium-loaded S100B bound to SBi4172 · CTI B101 · binds MET0, VAL7, VAL8, ILE11, HIS42, PHE43, LEU44, ILE80 and 3 more
  • 4Y29 · Identification of a novel PPARg ligand that regulates metabolism · CTI A501 · binds ILE281, PHE282, CYS285, ARG288, SER289, ALA292, ILE326, LEU330 and 10 more
  • 8UIW · yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N · CTI N202 · binds A14, A15, U51, A52, U55, A56, U96, U116
  • 8URT · Membrane protein enzyme with a specific inhibitor · CTI A1005 · binds MET129, VAL132, ILE151, PHE173, CYS174, GLY175, GLU178, GLY179 and 5 more
  • 3ARW · Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors… · CTI A606 · binds SER204, TRP275, THR276, ASP392, TRP397, ARG463, GLU498
  • 3AS1 · Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors… · CTI A606 · binds ASP392, TRP397, ASN398, ARG463
  • 4D9Y · The crystal structure of chelerythrine bound to DNA D(CGTACG) · CTI A201 · binds DC105, DG106, DG208
  • 4PDZ · Crystal structure of calcium-loaded S100B bound to SBI4172 · CTI B101 · binds MET0, VAL7, VAL8, ILE11, HIS42, PHE43, LEU44, ILE80 and 3 more
  • 4Y29 · Identification of a novel pparg ligand that regulates metabolism · CTI A501 · binds ILE281, PHE282, CYS285, ARG288, SER289, ALA292, ILE326, LEU330 and 10 more

Residues it binds most

LEU 6, PHE 6, ILE 6, GLY 4, MET 6, A 2, ALA 8, CYS 6, VAL 6, U 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • GOL · Glycerol
  • MG · Magnesium ion
  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine
  • K · Potassium ion
  • OS · Osmium ion

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