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Ligand · 4IK

4IK · (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid

4IK, (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid (C16 H25 N7 O5, 395.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
4IK
Formula
C16 H25 N7 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

4IK in 4 structures; the first of them:

  • 4IKP · Crystal structure of coactivator-associated arginine methyltransferase 1 with… · 4IK A501 · binds TYR149, PHE150, TYR153, GLN159, MET162, ARG168, ASP190, GLY192 and 17 more
  • 7R1U · Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor · 4IK A301 · binds ASN43, TYR47, HIS69, GLY71, ALA72, GLY73, SER74, PRO80 and 12 more
  • 4IKP · Crystal structure of coactivator-associated arginine methyltransferase 1 with… · 4IK A501 · binds TYR149, PHE150, TYR153, GLN159, MET162, ARG168, ASP190, GLY192 and 17 more
  • 7R1U · Crystal structure of SARS-cov-2 NSP10/NSP16 in complex with the WZ16 inhibitor · 4IK A301 · binds ASN43, TYR47, HIS69, GLY71, ALA72, GLY73, SER74, PRO80 and 12 more

Residues it binds most

GLY 10, GLU 8, SER 10, MET 10, TYR 10, ASP 10, VAL 8, ALA 10, CYS 10, LEU 10 (residue and the binding sites it lines).

Found with

  • GTA · P1-7-methylguanosine-P3-adenosine-5',5'-triphosphate
  • ZN · Zinc ion
  • UNX · Unknown atom or ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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