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Ligand · IFL

IFL · (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one

IFL, (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one (C6 H11 N O4, 161.2 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
IFL
Formula
C6 H11 N O4
Class
ligand
Structures
10
PDB entries
5

Binding sites

IFL in 10 structures; the first of them:

  • 1UZ1 · Family 1 b-glucosidase from Thermotoga maritima in complex with isofagomine lactam · IFL A1446 · binds GLN20, HIS121, TRP122, ASN165, GLU166, ASN293, TYR295, TRP324 and 5 more
  • 1UZ4 · Common inhibition of beta-glucosidase and beta-mannosidase by isofagomine lactam reflects… · IFL A1432 · binds TRP135, TRP137, ASN214, GLU215, TRP285, ASN288, GLU330, TRP376 and 4 more
  • 2V38 · Family 5 endoglucanase Cel5A from Bacillus agaradhaerens in complex with cellobio-derived… · IFL A1309 · binds TYR66, HIS101, LEU103, ASN138, GLU139, TYR202, GLU228, ALA234 and 3 more
  • 2VJX · Structural and biochemical evidence for a boat-like transition state in beta-mannosidases · IFL A1865 · binds TRP198, ASP199, TRP200, TRP395, CYS424, ASN461, GLU462, TRP533 and 4 more
  • 4AYR · Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in… · IFL A503 · binds GLU121, ILE124, ARG125, LEU310, ARG363, PRO364, GLU365, TYR423 and 3 more
  • 1UZ1 · Family 1 B-glucosidase from thermotoga maritima in complex with isofagomine lactam · IFL A1446 · binds GLN20, HIS121, TRP122, ASN165, GLU166, ASN293, TYR295, TRP324 and 5 more
  • 1UZ4 · Common inhibition of beta-glucosidase and beta-mannosidase by isofagomine lactam reflects… · IFL A1432 · binds TRP135, TRP137, ASN214, GLU215, TRP285, ASN288, GLU330, TRP376 and 4 more
  • 2V38 · Family 5 endoglucanase CEL5A from bacillus agaradhaerens in complex with cellobio-derived… · IFL A1309 · binds TYR66, HIS101, LEU103, ASN138, GLU139, TYR202, GLU228, ALA234 and 3 more
  • 2VJX · Structural and biochemical evidence for a boat-like transition state in beta-mannosidases · IFL A1865 · binds TRP198, ASP199, TRP200, TRP395, CYS424, ASN461, GLU462, TRP533 and 4 more
  • 4AYR · Structure of the GH47 processing alpha-1,2-mannosidase from caulobacter strain K31 in… · IFL A503 · binds GLU121, ILE124, ARG125, LEU310, ARG363, PRO364, GLU365, TYR423 and 3 more

Residues it binds most

TRP 12, GLU 16, ASN 14, TYR 16, ALA 4, ASP 6, GLN 6, HIS 6, LEU 6, PHE 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • IDR · alpha-L-idopyranuronic acid
  • CA · Calcium ion
  • NA · Sodium ion
  • BR · Bromide ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol

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