Ligand · A1IF8

A1IF8 · azanylidene-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]imino-azanium

A1IF8, azanylidene-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidan…

Component: A1IF8
Formula: C32 H53 F2 N8 O8 +1
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1IF8 in 1 structure; the first of them:

9FST · Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor… · A1IF8 K301 · binds THR2, THR3, ASP17, ARG19, ALA20, THR21, ALA22, ALA27 and 22 more

Residues it binds most

SER 4, ALA 4, GLY 4, THR 4, VAL 4, ASP 4, LYS 4, ARG 4, HIS 3, TYR 3 (residue and the binding sites it lines).

Found with

MG · Magnesium ion
CL · Chloride ion
SO4 · Sulfate ion
MES · 2-(N-morpholino)-ethanesulfonic acid

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