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Ligand · PEM

PEM · 2-[P-[2-P-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid

PEM, 2-[P-[2-P-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid (C19 H20 Cl N O4, 361.8 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
PEM
Formula
C19 H20 Cl N O4
Class
ligand
Structures
9
PDB entries
5

Binding sites

PEM in 9 structures; the first of them:

  • 5X2T · Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure… · PEM I202 · binds PRO95, ALA130, THR134, THR137, TYR140, TRP37, PRO95, LYS99 and 5 more
  • 7BPZ · X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator… · PEM A501 · binds ILE272, PHE273, CYS275, CYS276, GLN277, THR279, SER280, TYR314 and 12 more
  • 7WGL · X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals… · PEM A502 · binds TRP228, VAL245, PHE246, ARG248, CYS249, GLN250, THR252, THR253 and 11 more
  • 7WGO · X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained… · PEM A501 · binds PHE282, CYS285, GLN286, ARG288, SER289, ALA292, HIS323, ILE326 and 9 more
  • 5X2S · Direct observation of conformational population shifts in hemoglobin: crystal structure… · PEM I202 · binds PRO95, LYS99, THR134, THR137, TYR140, TYR35, TRP37, PRO95 and 1 more
  • 5X2T · Direct observation of conformational population shifts in hemoglobin: crystal structure… · PEM I202 · binds PRO95, ALA130, THR134, THR137, TRP37, LYS127, ALA130, TRP37
  • 7BPZ · X-ray structure of human pparalpha ligand binding domain-bezafibrate- SRC1 coactivator… · PEM A501 · binds ILE272, PHE273, CYS275, CYS276, GLN277, THR279, SER280, TYR314 and 8 more
  • 7WGL · X-ray structure of human ppar delta ligand binding domain-bezafibrate co-crystals… · PEM A502 · binds TRP228, PHE246, ARG248, CYS249, GLN250, THR252, THR253, HIS287 and 7 more
  • 7WGO · X-ray structure of human ppar gamma ligand binding domain-bezafibrate co-rystals obtained… · PEM A501 · binds PHE282, CYS285, GLN286, ARG288, SER289, ALA292, HIS323, ILE326 and 7 more

Residues it binds most

LEU 10, THR 11, TYR 12, PHE 10, ILE 9, HIS 10, VAL 8, CYS 10, MET 10, GLN 10 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • HNI · Protoporphyrin IX containing ni(ii)
  • BOG · octyl beta-D-glucopyranoside

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