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Ligand · K7I

K7I · L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide

K7I, L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide (C16 H25 N3 O3, 307.4 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…

Component
K7I
Formula
C16 H25 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

K7I in 2 structures; the first of them:

  • 2QXG · Crystal Structure of Human Kallikrein 7 in Complex with Ala-Ala-Phe-chloromethylketone · K7I A300 · binds CYS42, HIS57, CYS58, HIS99, ALA190, CYS191, ASN192, GLY193 and 8 more
  • 2QXG · Crystal structure of human kallikrein 7 in complex with ala- ala-phe-chloromethylketone · K7I A300 · binds CYS42, HIS57, CYS58, HIS99, ALA190, CYS191, ASN192, GLY193 and 8 more

Residues it binds most

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

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