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Ligand · MIT

MIT · amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium

MIT, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium (C23 H37 N6 O5 S +1, 509.6 g/mol), in the MolNFT structures on GenesisL1…

Component
MIT
Formula
C23 H37 N6 O5 S +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

MIT in 4 structures; the first of them:

  • 1DWC · Crystallographic analysis at 3.0-ångströms resolution of the binding to human thrombin of… · MIT H1 · binds HIS57, TYR60A, TRP60D, LYS60F, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 1ETR · Refined 2.3 ångströms X-ray crystal structure of bovine thrombin complexes formed with… · MIT H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 1DWC · Crystallographic analysis at 3.0-ångströms resolution of the binding to human thrombin of… · MIT H1 · binds HIS57, TYR60A, TRP60D, LYS60F, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 1ETR · Refined 2.3 ångströms X-ray crystal structure of bovine thrombin complexes formed with… · MIT H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more

Residues it binds most

GLY 4, GLU 4, CYS 4, SER 4, TRP 4, ALA 4, ASN 4, ASP 4, HIS 4, ILE 4 (residue and the binding sites it lines).

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