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Ligand · 5KK

5KK · 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane

5KK, 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane (C12 H30 N8, 286.4 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 binds most and the…

Component
5KK
Formula
C12 H30 N8
Class
ligand
Structures
2
PDB entries
1

Binding sites

5KK in 2 structures; the first of them:

  • 5E78 · Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep · 5KK B503 · binds GLU13, LEU14, ALA191, ASN192
  • 5E78 · Crystal structure of P450 BM3 heme domain variant complexed with CO(III)SEP · 5KK B503 · binds GLU13, LEU14, ALA191, ASN192

Residues it binds most

ALA 2, ASN 2, GLU 2, LEU 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CO · Cobalt (II) ion
  • CL · Chloride ion

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