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Ligand · J89

J89 · (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol

J89, (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol (C19 H34 N O5 P, 387.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site…

Component
J89
Formula
C19 H34 N O5 P
Class
ligand
Structures
6
PDB entries
4

Binding sites

J89 in 6 structures; the first of them:

  • 7EO2 · Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to FTY720p · J89 A401 · binds TYR29, LYS34, ASN101, SER105, GLY106, THR109, TRP117, ARG120 and 13 more
  • 7EW2 · Cryo-EM structure of pFTY720-bound Sphingosine 1-phosphate receptor 3 in complex with Gi… · J89 R401 · binds TYR22, ARG31, ASN95, SER99, GLY100, THR103, TRP111, ARG114 and 11 more
  • 7VIF · Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with (S)-FTY720-P · J89 F401 · binds TYR29, ASN101, SER105, GLY106, THR109, ARG120, GLU121, PHE125 and 9 more
  • 7YUD · FTY720p-bound human SPNS2 · J89 R601 · binds TYR116, ARG119, TYR120, ILE238, SER242, TYR246, SER326, THR329 and 11 more
  • 7EO2 · Cryo-EM of sphingosine 1-phosphate receptor 1 / gi complex bound to FTY720P · J89 A401 · binds TYR29, LYS34, ASN101, SER105, THR109, ARG120, GLU121, MET124 and 5 more
  • 7EW2 · Cryo-EM structure of PFTY720-bound sphingosine 1-phosphate receptor 3 in complex with gi… · J89 R401 · binds TYR22, ARG31, ASN95, SER99, THR103, ARG114, GLU115, MET118 and 3 more

Residues it binds most

LEU 6, PHE 6, SER 6, ARG 6, TYR 6, GLU 6, THR 6, ASN 5, GLY 4, ILE 2 (residue and the binding sites it lines).

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