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Ligand · TIH

TIH · Beta(2-thienyl)alanine

TIH, Beta(2-thienyl)alanine (C7 H9 N O2 S, 171.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
TIH
Formula
C7 H9 N O2 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

TIH in 6 structures; the first of them:

  • 1KW0 · Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with… · TIH A430 · binds TYR138, ARG270, TYR277, THR278, PRO279, GLU280, PRO281, HIS285 and 6 more
  • 1MMK · Crystal structure of ternary complex of the catalytic domain of human phenylalanine… · TIH A428 · binds TYR138, ARG270, TYR277, THR278, GLU280, PRO281, HIS285, TRP326 and 5 more
  • 5LHT · ATP Phosphoribosyltransferase from Mycobacterium tuberculosis in complex with the… · TIH A301 · binds ASP216, TYR217, ASP218, LEU242, ALA249, ALA273, LEU275
  • 1KW0 · Catalytic domain of human phenylalanine hydroxylase (FE(II)) in complex with… · TIH A430 · binds TYR138, ARG270, TYR277, THR278, PRO279, GLU280, PRO281, HIS285 and 6 more
  • 1MMK · Crystal structure of ternary complex of the catalytic domain of human phenylalanine… · TIH A428 · binds TYR138, ARG270, TYR277, THR278, GLU280, PRO281, HIS285, TRP326 and 5 more
  • 5LHT · ATP phosphoribosyltransferase from mycobacterium tuberculosis in complex with the… · TIH A301 · binds ASP216, TYR217, ASP218, LEU242, ALA249, ALA273, LEU275

Residues it binds most

TYR 6, GLU 4, SER 4, PRO 4, ALA 2, ARG 4, ASP 2, GLY 4, HIS 4, LEU 2 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • FE2 · Fe (II) ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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