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Ligand · FNO

FNO · 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione

FNO, 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione (C16 H16 O5, 288.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site with its residues within 4.5 Å…

Component
FNO
Formula
C16 H16 O5
Class
ligand
Structures
5
PDB entries
5

Binding sites

FNO in 5 structures; the first of them:

  • 8WUR · Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with shikonin · FNO A301 · binds LEU27, PRO39, HIS41, CYS145, HIS164, MET165, GLU166, ASP187 and 4 more
  • 7CA8 · The crystal structure of COVID-19 main protease in complex with an inhibitor shikonin · FNO A301 · binds PRO39, HIS41, CYS145, HIS164, MET165, ASP187, ARG188, GLN189 and 2 more
  • 7EO7 · Crystal structure of hcov-NL63 3C-like protease in complex with an inhibitor shikonin · FNO B401 · binds LEU27, HIS41, PRO45, THR47, CYS144, GLN164, ILE165, ASP187 and 2 more
  • 7EO8 · Crystal structure of SARS coronavirus main protease in complex with an inhibitor shikonin · FNO A401 · binds PRO39, HIS41, CYS145, HIS164, MET165, ASP187, ARG188, GLN189
  • 7X8I · Crystal structure of athppd-shikonin complex · FNO A502 · binds HIS226, LEU265, SER267, GLN293, GLN307, HIS308, MET335, PHE381 and 4 more

Residues it binds most

GLN 5, HIS 5, PRO 4, ASP 4, CYS 4, MET 4, PHE 1, ARG 3, LEU 3, THR 3 (residue and the binding sites it lines).

Found with

  • CO · Cobalt (II) ion

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