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Ligand · 3Y6

3Y6 · 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid

3Y6, 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid (C24 H25 B N4 O9, 524.3 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
3Y6
Formula
C24 H25 B N4 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

3Y6 in 2 structures; the first of them:

  • 4X6T · M.tuberculosis betalactamase complexed with inhibitor EC19 · 3Y6 A408 · binds CYS83, SER84, LYS87, ARG115, SER116, ILE117, TYR141, SER142 and 10 more
  • 4X6T · M.TUBERCULOSIS betalactamase complexed with inhibitor EC19 · 3Y6 A408 · binds CYS83, SER84, LYS87, ARG115, SER116, ILE117, TYR141, SER142 and 10 more

Residues it binds most

SER 2, ARG 2, GLY 2, PRO 2, ALA 2, ASP 2, CYS 2, GLU 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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