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Ligand · DI3

DI3 · Ac-(d)phe-pro-boro-N-butyl-amidino-glycine-oh

DI3, Ac-(d)phe-pro-boro-N-butyl-amidino-glycine-oh (C22 H34 B N5 O5, 459.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
DI3
Formula
C22 H34 B N5 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

DI3 in 2 structures; the first of them:

  • 1LHE · Human alpha-thrombin complexed with ac-(D)PHE-pro-boro-N-butyl-amidino-glycine-oh · DI3 H400 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 15 more
  • 1LHE · Human alpha-thrombin complexed with ac-(D)PHE-pro-boro-N- butyl-amidino-glycine-oh · DI3 H400 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 15 more

Residues it binds most

GLY 2, GLU 2, ASP 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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