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Ligand · 99C

99C · (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate

99C, (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate (C12 H18 O8 P2, 352.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
99C
Formula
C12 H18 O8 P2
Class
ligand
Structures
2
PDB entries
1

Binding sites

99C in 2 structures; the first of them:

  • 6J06 · Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08 · 99C A501 · binds TRP350, HIS351, TYR352, LYS393, ARG412, LEU414, ARG418, ARG469 and 3 more
  • 6J06 · Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with hmbpp-08 · 99C A501 · binds TRP350, HIS351, TYR352, LYS393, ARG412, ARG418, ARG469, LEU471 and 2 more

Residues it binds most

ARG 6, LEU 6, TRP 6, HIS 6, TYR 6, GLU 4, PRO 4, LYS 3 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • FLC · Citrate anion

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