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Ligand · U1H

U1H · [4-(trifluoromethyl)phenyl]methanamine

U1H, [4-(trifluoromethyl)phenyl]methanamine (C8 H8 F3 N, 175.2 g/mol), in the MolNFT structures on GenesisL1: bound in 59 records (41 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
U1H
Formula
C8 H8 F3 N
Class
ligand
Structures
59
PDB entries
41

Binding sites

U1H in 59 structures; the first of them:

  • 7H5N · Crystal structure of endothiapepsin PN_RT2 in complex with TL00150 at 296 K · U1H A912 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 3 more
  • 7H5R · Crystal structure of endothiapepsin IS_cryo3 in complex with TL00150 at 100 K · U1H A903 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more
  • 7QM3 · Endothiapepsin in complex with compound TL00150 in 5% DMSO at 298 K · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QM8 · Endothiapepsin in complex with compound TL00150 in 40% DMSO at 298 K · U1H A2804 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more
  • 7QMB · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QME · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, GLY80, PHE194, ASP219, GLY221, THR222, ILE300 and 2 more
  • 7QMI · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QML · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMM · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMN · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMP · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMQ · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMR · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMS · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, GLY80, ILE217, ASP219, GLY221, THR222, ILE300 and 2 more
  • 7QMU · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMW · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QMZ · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QN0 · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QN2 · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, SER38, TYR79, GLY80, PHE194, ILE217, ASP219 and 5 more
  • 7QN4 · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · U1H A2601 · binds ASP35, GLY37, GLY80, PHE194, ASP219, GLY221, THR222, ILE300 and 2 more
  • 7QLT · Endothiapepsin in complex with ligand TL00150 in 10% dmso at 100K · U1H A2806 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 3 more
  • 7QM3 · Endothiapepsin in complex with compound TL00150 in 5% dmso at 298 K · U1H A2601 · binds ASP35, GLY37, GLY80, PHE194, ASP219, GLY221, THR222, ILE300 and 1 more
  • 7QM4 · Endothiapepsin in complex with compound TL00150 in 8% dmso at 298 K · U1H A2601 · binds ASP35, GLY37, GLY80, PHE194, ASP219, GLY221, THR222, ILE300 and 2 more
  • 7QM5 · Endothiapepsin in complex with compound TL00150 in 10% dmso at 298 K · U1H A2601 · binds ASP35, GLY37, GLY80, PHE194, ASP219, GLY221, THR222, ILE300 and 2 more
  • 7QM6 · Endothiapepsin in complex with compound TL00150 in 15% dmso at 298 K · U1H A2601 · binds ASP35, GLY37, GLY80, PHE194, ASP219, GLY221, THR222, ILE300 and 2 more

Residues it binds most

ASP 100, GLY 100, ILE 79, SER 61, PHE 93, THR 67, TYR 61, LEU 36 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane
  • ACT · Acetate ion

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