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Ligand · 1YE

1YE · (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid

1YE, (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid (C17 H14 O4, 282.3 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 most and…

Component
1YE
Formula
C17 H14 O4
Class
ligand
Structures
10
PDB entries
5

Binding sites

1YE in 10 structures; the first of them:

  • 4LOL · Crystal structure of mSting in complex with DMXAA · 1YE A401 · binds SER161, ILE164, GLY165, LEU169, ILE234, ARG237, LEU158, SER161 and 8 more
  • 4QXO · Crystal structure of hSTING(group2) in complex with DMXAA · 1YE A401 · binds SER162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264, GLN266 and 1 more
  • 4QXP · Crystal structure of hSTING(G230I) in complex with DMXAA · 1YE A401 · binds SER162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264, GLN266 and 7 more
  • 4QXQ · Crystal structure of hSTING(S162A/Q266I) in complex with DMXAA · 1YE A401 · binds LEU159, ALA162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264 and 10 more
  • 4QXR · Crystal structure of hSTING(S162A/G230I/Q266I) in complex with DMXAA · 1YE A401 · binds ALA162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264, ILE266 and 7 more
  • 4LOL · Crystal structure of msting in complex with dmxaa · 1YE A401 · binds SER161, ILE164, GLY165, LEU169, ILE234, ARG237, LEU158, SER161 and 8 more
  • 4QXO · Crystal structure of HSTING(GROUP2) in complex with dmxaa · 1YE A401 · binds SER162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264, GLN266 and 1 more
  • 4QXP · Crystal structure of HSTING(G230I) in complex with dmxaa · 1YE A401 · binds SER162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264, GLN266 and 7 more
  • 4QXQ · Crystal structure of HSTING(S162A/Q266I) in complex with dmxaa · 1YE A401 · binds LEU159, ALA162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264 and 10 more
  • 4QXR · Crystal structure of HSTING(S162A/G230I/Q266I) in complex with dmxaa · 1YE A401 · binds ALA162, TYR163, GLY166, TYR167, TYR240, THR263, PRO264, ILE266 and 7 more

Residues it binds most

TYR 18, GLY 18, ILE 16, THR 18, ALA 10, LEU 16, PRO 18, SER 10, ARG 16, GLN 10 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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