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Ligand · MJI

MJI · 1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane

MJI, 1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane (C22 H44 F3 O6 P, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
MJI
Formula
C22 H44 F3 O6 P
Class
ligand
Structures
8
PDB entries
4

Binding sites

MJI in 8 structures; the first of them:

  • 1FX9 · Carboxylic ester hydrolase complex (dimeric PLA2 + MJ33 inhibitor + sulphate ions) · MJI A193 · binds LEU2, PHE5, ILE9, PRO18, LEU19, PHE22, ASN23, TYR28 and 20 more
  • 1FXF · Carboxylic ester hydrolase complex (dimeric PLA2 + MJ33 inhibitor + phosphate ions) · MJI A297 · binds LEU2, PHE5, ILE9, PRO18, LEU19, PHE22, ASN23, TYR28 and 21 more
  • 1HN4 · Prophospholipase A2 dimer complexed with MJ33, sulfate, and calcium · MJI A397 · binds ILE-4, SER-2, LEU2, TRP3, PHE5, ARG6, PRO18, LEU19 and 19 more
  • 1Y6O · Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X… · MJI A217 · binds LEU2, PHE5, ARG6, ILE9, PRO18, LEU19, PHE22, ASN23 and 10 more
  • 1FX9 · Carboxylic ester hydrolase complex (dimeric PLA2 + MJ33 inhibitor + sulphate ions) · MJI A193 · binds LEU2, PHE5, ILE9, PRO18, LEU19, PHE22, ASN23, TYR28 and 20 more
  • 1FXF · Carboxylic ester hydrolase complex (dimeric PLA2 + MJ33 inhibitor + phosphate ions) · MJI A297 · binds LEU2, PHE5, ILE9, PRO18, LEU19, PHE22, ASN23, TYR28 and 21 more
  • 1HN4 · Prophospholipase A2 dimer complexed with MJ33, sulfate, and calcium · MJI A397 · binds ILE-4, SER-2, LEU2, TRP3, PHE5, ARG6, PRO18, LEU19 and 19 more
  • 1Y6O · Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X… · MJI A217 · binds LEU2, PHE5, ARG6, ILE9, PRO18, LEU19, PHE22, ASN23 and 10 more

Residues it binds most

LEU 10, PHE 10, CYS 10, TYR 10, ILE 10, PRO 10, ASN 10, GLY 10, ARG 10, ASP 10 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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