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Ligand · 0A9

0A9 · methyl L-phenylalaninate

0A9, methyl L-phenylalaninate (C10 H13 N O2, 179.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
0A9
Formula
C10 H13 N O2
Class
ligand
Structures
8
PDB entries
4

Binding sites

0A9 in 8 structures; the first of them:

  • 3QGO · Structure of Thermolysin in complex with L-Phenylalanine methylester · 0A9 A406 · binds ASN112, ALA113, PHE130, LEU133, VAL139, HIS142, GLU143, GLU166 and 5 more
  • 3QH5 · Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and… · 0A9 A322 · binds TYR211, GLY212, ASP213, ILE232
  • 4Y38 · Endothiapepsin in complex with fragment B29 · 0A9 A411 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116 and 4 more
  • 6SC3 · Thermolysin in complex with fragment J62 · 0A9 E407 · binds SER25, THR26, TYR27, TYR29
  • 3QGO · Structure of thermolysin in complex with L-phenylalanine methylester · 0A9 A406 · binds ASN112, ALA113, PHE130, LEU133, VAL139, HIS142, GLU143, GLU166 and 5 more
  • 3QH5 · Structure of thermolysin in complex with N-carbobenzyloxy-L-aspartic acid and… · 0A9 A322 · binds TYR211, GLY212, ASP213, ILE232
  • 4Y38 · Endothiapepsin in complex with fragment B29 · 0A9 A411 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116 and 4 more
  • 6SC3 · Thermolysin in complex with fragment J62 · 0A9 E407 · binds SER25, THR26, TYR27, TYR29

Residues it binds most

GLY 12, TYR 12, ASP 6, ILE 6, LEU 4, GLU 2, HIS 2, LYS 4, PHE 4, SER 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • ACT · Acetate ion
  • BCT · Bicarbonate ion
  • NX6 · N-[(benzyloxy)carbonyl]-L-aspartic acid
  • GOL · Glycerol
  • P6G · Hexaethylene glycol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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