Ligand · Y33

Y33 · (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

Y33, (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid (C17 H27 N3 O6 S, 401.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8…

Component: Y33
Formula: C17 H27 N3 O6 S
Class: ligand
Structures: 8
PDB entries: 8

Binding sites

Y33 in 8 structures; the first of them:

8FAJ · OXA-48-NA-1-157 inhibitor complex · Y33 A301 · binds ALA69, SER70, LYS73, ILE102, TRP105, SER118, VAL120, LEU158 and 6 more
8V9H · GES-5-NA-1-157 complex · Y33 A301 · binds CYS63, SER64, LYS67, GLU98, TRP99, SER125, ASN127, GLU161 and 7 more
9D79 · OXA-58-NA-1-157 1.5 min complex · Y33 A301 · binds ALA82, SER83, KCX86, PHE114, TRP117, SER130, VAL132, LEU170 and 7 more
9D7A · OXA-58-NA-1-157 5 min complex · Y33 A301 · binds ALA82, SER83, KCX86, PHE114, TRP117, SER130, VAL132, LEU170 and 5 more
9D7B · OXA-58-NA-1-157 7.5 min complex · Y33 A301 · binds ALA82, SER83, PHE114, TRP117, SER130, VAL132, LEU170, SER221 and 5 more
9D7C · OXA-58-NA-1-157 10 min complex · Y33 A301 · binds ALA82, SER83, TRP117, SER130, VAL132, LEU170, SER221, GLY222 and 3 more
9D7D · OXA-58-NA-1-157 20 min complex · Y33 A301 · binds ALA82, SER83, PHE114, TRP117, SER130, VAL132, LEU170, SER221 and 6 more
9D8C · OXA-58-NA-1-157 2.5 hour complex · Y33 A301 · binds ALA82, SER83, PHE114, TRP117, SER130, VAL132, LEU170, SER221 and 6 more

Residues it binds most

SER 27, TRP 27, GLY 27, ALA 25, ARG 27, LEU 25, VAL 25, ILE 24, PHE 22, MET 17 (residue and the binding sites it lines).

Found with

CA · Calcium ion
CL · Chloride ion
CO2 · Carbon dioxide
ACT · Acetate ion
CD · Cadmium ion
IOD · Iodide ion
EDO · 1,2-ethanediol
GOL · Glycerol

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