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Ligand · KNX

KNX · 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine

KNX, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine (C27 H36 Cl2 N8 O5, 623.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
KNX
Formula
C27 H36 Cl2 N8 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

KNX in 2 structures; the first of them:

  • 7TWU · Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with… · KNX B301 · binds TYR27, TYR35, ASN39, TYR40, ARG44, LYS57, GLY79, SER80 and 22 more
  • 7TX2 · Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with… · KNX A402 · binds TYR27, TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, GLY79 and 24 more

Residues it binds most

TYR 3, VAL 3, ASP 3, ALA 3, PHE 3, ASN 3, GLY 3, ARG 3, CYS 3, GLU 3 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • CD · Cadmium ion

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