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Ligand · K5A

K5A · 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide

K5A, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide (C27 H28 N6 O3 S2, 548.7 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every…

Component
K5A
Formula
C27 H28 N6 O3 S2
Class
ligand
Structures
8
PDB entries
4

Binding sites

K5A in 8 structures; the first of them:

  • 6C0J · Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor… · K5A A601 · binds PRO95, LEU100, LYS101, LYS103, LYS104, SER105, VAL106, VAL179 and 9 more
  • 6C0K · Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with… · K5A A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, LYS104, SER105, VAL106 and 12 more
  • 6C0L · Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with… · K5A A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, VAL106 and 12 more
  • 6CGF · Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with… · K5A A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, VAL106 and 14 more
  • 6C0J · Crystal structure of HIV-1 reverse transcriptase in complex with non- nucleoside… · K5A A601 · binds PRO95, LEU100, LYS101, LYS103, LYS104, SER105, VAL106, VAL179 and 9 more
  • 6C0K · Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with… · K5A A601 · binds PRO95, LEU100, LYS101, ASN103, LYS104, VAL106, VAL179, ILE180 and 9 more
  • 6C0L · Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with… · K5A A601 · binds PRO95, LEU100, LYS101, LYS103, LYS104, SER105, VAL106, VAL179 and 9 more
  • 6CGF · Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with… · K5A A601 · binds LEU100, LYS101, LYS103, LYS104, SER105, VAL106, VAL179, TYR181 and 8 more

Residues it binds most

LYS 8, TYR 8, LEU 8, VAL 8, PRO 8, HIS 8, PHE 8, TRP 8, SER 7, GLU 6 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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