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Ligand · CEI

CEI · N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

CEI, N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (C25 H21 N3 O3, 411.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
CEI
Formula
C25 H21 N3 O3
Class
ligand
Structures
6
PDB entries
4

Binding sites

CEI in 6 structures; the first of them:

  • 6YN2 · Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex… · CEI A401 · binds ASP120, PHE121, GLN144, SER145, VAL146, VAL147, ASP148, ILE150 and 11 more
  • 7OMR · Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A… · CEI A401 · binds SER145, VAL146, VAL147, ASP148, ILE150, TRP156, ASP158, ILE159 and 6 more
  • 7QXQ · Coelenteramide-bound Renilla-type luciferase (AncFT) · CEI A400 · binds ASP118, TRP119, GLU142, SER143, VAL144, TRP154, ILE157, ASP160 and 12 more
  • 8AQI · NanoLuc luciferase with bound coelenteramide in surface allosteric site · CEI A201 · binds ARG43, LYS53, ASP55, HIS57, ILE59, TYR81, PRO82, VAL83 and 11 more
  • 6YN2 · Crystal structure of renilla reniformis luciferase variant RLUC8- W121F/E144Q in complex… · CEI A401 · binds ASP120, PHE121, GLN144, SER145, VAL146, VAL147, ASP148, ILE150 and 10 more
  • 7OMR · Crystal structure of coelenteramide-bound renilla reniformis luciferase RLUC8-D162A… · CEI A401 · binds SER145, VAL146, VAL147, ASP148, ILE150, TRP156, ASP158, ILE159 and 6 more

Residues it binds most

ILE 11, ASP 11, PHE 9, VAL 11, TRP 9, SER 9, PRO 11, HIS 9, GLU 5, LEU 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • K · Potassium ion
  • ACT · Acetate ion
  • CL · Chloride ion
  • PG4 · Tetraethylene glycol

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