Ligand · TR1
TR1 · 2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester
TR1, 2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester (C24 H31 N3 O4 S, 457.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…
- Component
- TR1
- Formula
- C24 H31 N3 O4 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
TR1 in 4 structures; the first of them:
- 1C3I · Human stromelysin-1 catalytic domain complexed with ro-26-2812 · TR1 B1 · binds ASN162, VAL163, LEU164, ALA165, LEU197, VAL198, HIS201, GLU202 and 9 more
- 1C8T · Human stromelysin-1 (E202Q) catalytic domain complexed with ro-26-2812 · TR1 A265 · binds GLY161, ASN162, VAL163, LEU164, ALA165, HIS166, LEU197, VAL198 and 12 more
- 1C3I · Human stromelysin-1 catalytic domain complexed with ro-26-2812 · TR1 B1 · binds ASN162, VAL163, LEU164, ALA165, LEU197, VAL198, HIS201, GLU202 and 9 more
- 1C8T · Human stromelysin-1 (E202Q) catalytic domain complexed with ro-26-2812 · TR1 A265 · binds GLY161, ASN162, VAL163, LEU164, ALA165, HIS166, LEU197, VAL198 and 12 more
Residues it binds most
HIS 6, LEU 6, ALA 6, TYR 6, VAL 6, PRO 6, ASN 6, GLN 4, GLY 4, GLU 2 (residue and the binding sites it lines).
Found with
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