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Ligand · 5M5

5M5 · (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile

5M5, (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile (C24 H24 N4 O2, 400.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
5M5
Formula
C24 H24 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

5M5 in 4 structures; the first of them:

  • 7V3D · Complex structure of serine hydroxymethyltransferase from Enterococcus faecium and its… · 5M5 A501 · binds LEU117, GLY120, GLY121, HIS122, LEU123, SER127, VAL129, SER172 and 12 more
  • 7X5N · Crystal structure of E. faecium SHMT in complex with (+)-SHIN-1 and PLP-Ser · 5M5 A501 · binds LEU117, GLY120, GLY121, HIS122, LEU123, VAL129, SER172, ASN341 and 10 more
  • 7V3D · Complex structure of serine hydroxymethyltransferase from enterococcus faecium and its… · 5M5 A501 · binds LEU117, GLY120, GLY121, HIS122, LEU123, SER127, VAL129, SER172 and 12 more
  • 7X5N · Crystal structure of E. faecium shmt in complex with (+)-shin-1 and plp-ser · 5M5 A501 · binds LEU117, GLY120, GLY121, HIS122, LEU123, VAL129, SER172, ASN341 and 10 more

Residues it binds most

SER 8, ASN 8, GLY 8, LEU 8, PHE 8, TYR 8, ARG 8, GLU 8, HIS 8, LYS 8 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • PLS · [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine
  • CL · Chloride ion

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