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Ligand · XX7

XX7 · 2-{[(2S)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol

XX7, 2-{[(2S)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol (C20 H23 N O4, 341.4 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…

Component
XX7
Formula
C20 H23 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

XX7 in 2 structures; the first of them:

  • 2V3R · Hypocrea jecorina Cel7A in complex with (S)-dihydroxy-phenanthrenolol · XX7 A501 · binds ASN141, ALA143, TYR145, TYR171, ASP173, SER174, GLN175, GLU212 and 12 more
  • 2V3R · Hypocrea jecorina CEL7A in complex with (S)-dihydroxy-phenanthrenolol · XX7 A501 · binds ASN141, ALA143, TYR145, TYR171, ASP173, SER174, GLN175, GLU212 and 12 more

Residues it binds most

TYR 2, ASP 2, ALA 2, GLU 2, TRP 2, ARG 2, ASN 2, GLN 2, HIS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CO · Cobalt (II) ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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