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Ligand · TI1

TI1 · [2(R,S)-2-sulfanylheptanoyl]-phe-ala

TI1, [2(R,S)-2-sulfanylheptanoyl]-phe-ala (C19 H28 N2 O4 S, 380.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
TI1
Formula
C19 H28 N2 O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

TI1 in 4 structures; the first of them:

  • 1QF1 · Thermolysin (E.C.3.4.24.27) complexed with (2-sulphanylheptanoyl)-phe-ala. parameters for… · TI1 A317 · binds TYR110, ASN111, ASN112, ALA113, PHE114, TRP115, PHE130, LEU133 and 12 more
  • 1R1I · Structural analysis of neprilysin with various specific and potent inhibitors · TI1 A2001 · binds PHE106, ARG110, ASN542, ALA543, PHE544, PHE563, MET579, VAL580 and 9 more
  • 1QF1 · Thermolysin (E.C.3.4.24.27) complexed with (2-sulphanylheptanoyl)-phe- ala. parameters… · TI1 A317 · binds TYR110, ASN111, ASN112, ALA113, PHE114, TRP115, PHE130, LEU133 and 12 more
  • 1R1I · Structural analysis of neprilysin with various specific and potent inhibitors · TI1 A2001 · binds PHE106, ARG110, ASN542, ALA543, PHE544, PHE563, MET579, VAL580 and 9 more

Residues it binds most

HIS 4, PHE 4, GLU 4, ARG 4, ASN 4, VAL 4, ALA 4, ASP 4, LEU 2, TRP 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide

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