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Ligand · OTR

OTR · 4-(2R-amino-1-hydroxyethyl)phenol

OTR, 4-(2R-amino-1-hydroxyethyl)phenol (C8 H11 N O2, 153.2 g/mol), in the MolNFT structures on GenesisL1: bound in 13 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
OTR
Formula
C8 H11 N O2
Class
ligand
Structures
13
PDB entries
7

Binding sites

OTR in 13 structures; the first of them:

  • 1RG2 · Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate… · OTR A996 · binds DA806, TYR204, CYS205, HIS263, ASN283, GLY458, SER459, PRO461 and 1 more
  • 1RGT · Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate… · OTR A996 · binds DC806, TYR204, CYS205, HIS263, ASN283, GLY458, SER459, PRO461 and 1 more
  • 2AN4 · Structure of PNMT complexed with S-adenosyl-L-homocysteine and the acceptor substrate… · OTR A401 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, ALA186 and 5 more
  • 3HCA · Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy · OTR A401 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, ALA186 and 6 more
  • 3HCE · Crystal Structure of E185D hPNMT in Complex With Octopamine and AdoHcy · OTR A291 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, ASP185 and 7 more
  • 4QJQ · Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom… · OTR A614 · binds GLN105, HIS109, SER254, ARG255, GLU258, PHE381, GLN423, PRO424
  • 8EEF · C. ammoniagenes monoamine oxidase (MAO) bound to octopamine · OTR B501 · binds PHE175, ALA178, GLY179, TRP195, THR210, LEU211, PHE341, TRP387 and 1 more
  • 1RG2 · Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate… · OTR A996 · binds DA806, TYR204, CYS205, HIS263, ASN283, GLY458, SER459, PRO461 and 1 more
  • 1RGT · Crystal structure of human tyrosyl-DNA phosphodiesterase complexed with vanadate… · OTR A996 · binds DC806, TYR204, CYS205, HIS263, ASN283, GLY458, SER459, PRO461 and 1 more
  • 2AN4 · Structure of pnmt complexed with S-adenosyl-L-homocysteine and the acceptor substrate… · OTR A401 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, ALA186 and 5 more
  • 3HCA · Crystal structure of E185Q hpnmt in complex with octopamine and adohcy · OTR A401 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, ALA186 and 6 more
  • 3HCE · Crystal structure of E185D hpnmt in complex with octopamine and adohcy · OTR A291 · binds TYR35, ASN39, TYR40, ARG44, VAL53, LYS57, PHE182, ASP185 and 7 more
  • 4QJQ · Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 ångström… · OTR A614 · binds GLN105, HIS109, SER254, ARG255, GLU258, PHE381, GLN423, PRO424

Residues it binds most

TYR 20, VAL 13, ASN 20, ALA 13, HIS 10, ASP 12, PHE 15, ARG 14, GLU 14, LYS 12 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine
  • OTS · 4-(2S-amino-1-hydroxyethyl)phenol
  • SPM · Spermine
  • VO4 · Vanadate ion
  • EDO · 1,2-ethanediol
  • HEM · Protoporphyrin IX containing Fe
  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • IOD · Iodide ion
  • PO4 · Phosphate ion
  • SCN · Thiocyanate ion
  • PEG · Di(hydroxyethyl)ether

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