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Ligand · XDR

XDR · hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate

XDR, hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate (C32 H29 N3 O5, 535.6 g/mol), in the MolNFT structures on GenesisL1…

Component
XDR
Formula
C32 H29 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

XDR in 2 structures; the first of them:

  • 3F69 · Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex… · XDR A309 · binds LEU17, GLY18, PHE19, VAL25, ALA38, LYS40, VAL72, MET92 and 11 more
  • 3F69 · Crystal structure of the mycobacterium tuberculosis pknb mutant kinase domain in complex… · XDR A309 · binds LEU17, GLY18, PHE19, VAL25, ALA38, LYS40, VAL72, MET92 and 11 more

Residues it binds most

VAL 4, ALA 4, GLY 4, LEU 4, ASN 4, ASP 4, GLU 4, LYS 4, MET 4, PHE 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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