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Ligand · 9KS

9KS · N-(2-hydroxyphenyl)acetamide

9KS, N-(2-hydroxyphenyl)acetamide (C8 H9 N O2, 151.2 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, the residues it binds most and the ligands found…

Component
9KS
Formula
C8 H9 N O2
Class
ligand
Structures
5
PDB entries
5

Binding sites

9KS in 5 structures; the first of them:

  • 5Q1J · Pandda analysis group deposition -- crystal structure of DCLRE1A in complex with… · 9KS A1103 · binds VAL1004, LYS1008, PRO1009, GLN1010, ILE1012, PHE1031, TRP1034, LYS1035 and 1 more
  • 5QHU · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · 9KS A1404 · binds GLY1257, VAL1258, ALA1330, THR1333, GLY1334, PHE1371
  • 5RZF · EPB41L3 pandda analysis group deposition -- crystal structure of the ferm domain of human… · 9KS A401 · binds SER318, GLY319, LEU320, LEU321, ARG331, PHE332, ALA333
  • 5S4V · Tubulin-Z57040482-complex · 9KS B505 · binds GLY100, ASN101, ASN102, LYS105, TRP407, THR253, GLN256, THR257
  • 5SBN · CD44 pandda analysis group deposition -- the hyaluronan-binding domain of CD44 in complex… · 9KS A201 · binds ARG33, PHE38, PHE60, ASN125, SER127, ALA128, VAL137, ASP139

Residues it binds most

ALA 4, PHE 4, GLY 3, LYS 3, THR 3, VAL 4, ASN 2, ILE 2, LEU 2, ARG 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • NI · Nickel (II) ion
  • CL · Chloride ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • MLI · Malonate ion

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