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Ligand · XP5

XP5 · (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide

XP5, (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide (C22 H45 N O8 P +1, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding…

Component
XP5
Formula
C22 H45 N O8 P +1
Class
ligand
Structures
7
PDB entries
6

Binding sites

XP5 in 7 structures; the first of them:

  • 5EJ1 · Pre-translocation state of bacterial cellulose synthase · XP5 A921 · binds PHE435, GLY437, ARG541, PHE545, ASP548
  • 7LEO · C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and… · XP5 A303 · binds SER249, LEU250, TRP252, HIS269, LYS271, CYS272, LYS275
  • 7KNJ · C1B domain of protein kinase C in complex with phorbol ester and phosphatidylcholine · XP5 A301 · binds TRP252, GLY253, LEU254, VAL255, LYS256, HIS270
  • 7KO6 · C1B domain of protein kinase C in complex with ingenol-3-angelate and phosphocholine · XP5 A304 · binds TYR236, ASN237, TYR238, MET239, SER240, LYS260, GLY265
  • 7LCB · C1B domain of protein kinase C in complex with prostratin and phosphatidylcholine · XP5 A304 · binds GLY253, LEU254, VAL255, LYS256
  • 7LEO · C1B domain of protein kinase C in complex with diacylglycerol-lactone (ajh-836) and… · XP5 A303 · binds SER249, LEU250, TRP252, HIS269, LYS271, CYS272, LYS275
  • 7LF3 · C1B domain of protein kinase C in complex with diacylglycerol-lactone ajh-836 · XP5 A304 · binds GLY253, LEU254, VAL255

Residues it binds most

LEU 8, LYS 8, GLY 7, PHE 6, TRP 5, SER 6, VAL 5, TYR 2, HIS 3, ARG 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • XZJ · {(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate
  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
  • C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
  • WTS · Phorbol 12,13-dibutyrate
  • WUD · Ingenol-3-angelate
  • XYV · Prostratin
  • BGC · beta-D-glucopyranose

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