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Ligand · SEI

SEI · 1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide

SEI, 1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide (C29 H37 F5 N4 O6, 632.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
SEI
Formula
C29 H37 F5 N4 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

SEI in 4 structures; the first of them:

  • 1B0E · Crystal structure of porcine pancreatic elastase with mdl 101,146 · SEI A260 · binds THR41, CYS42, HIS57, CYS58, VAL99, ALA99A, TRP172, THR175 and 11 more
  • 1B0F · Crystal structure of human neutrophil elastase with mdl 101, 146 · SEI A300 · binds PHE41, CYS42, HIS57, CYS58, LEU99B, ARG177, VAL190, CYS191 and 8 more
  • 1B0E · Crystal structure of porcine pancreatic elastase with mdl 101,146 · SEI A260 · binds THR41, CYS42, HIS57, CYS58, VAL99, ALA99A, TRP172, THR175 and 11 more
  • 1B0F · Crystal structure of human neutrophil elastase with mdl 101, 146 · SEI A300 · binds PHE41, CYS42, HIS57, CYS58, LEU99B, ARG177, VAL190, CYS191 and 8 more

Residues it binds most

CYS 4, SER 4, PHE 4, VAL 4, ARG 4, THR 2, ASP 4, GLY 4, HIS 4, ALA 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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