2026-10-24_00000179|medium|43EA

Crystal structure of Aspergillus fumigatus histone deacetylase Hos3 in complex with T2383; X-ray diffraction 1.98Å
Protein #1 595 residues (83% resolved)

RPQEQAAPTAASVAADFFQREVDLHQSTDLHSKVVVVVHDACYGHRFSRPRTSKTALSYIVERPERIQACVVGVSAAYVLMAGRHAGKRFAPHPELDLHQLPAPPFQIRKTSRTMPITSAAVTHVHGTKWMDELKTMCDAAESRLALNGKELVRPRSSGKDGDSAKKAPLNDGDLYLCSESLNAFEGALGGVCEGVDAVFNSNTTKRAFVCIRPPGHHCSTSHPSGFCWINNVHVGITYAAMTHGLTHAAILDFDLHHGDGSQDIAWEQNQKAVSAAWNAANHKKTRIGYFSLHDINSFPCEYGDVEKVRNASVCIDKAHGQSIWNVHLETWKSDAEFWEIYAAKYTILLEKARAFLRLHTERLLDSAPGDTPPKAAIFISAGFDASEWEGSGMQRHQVNVPTEFYAKFTADVVQMAEEEGLGVDGRVISVLEGGYSNRALTSGVLSHLAALGDTTTLSAIVNHEQQVGLASEMFDRLHVSDSNAPAEALRTPSDIGYDSQWWAPTRLDELEALVYPPPSTAPKSKSARTYFAPTQSFAAKVVAAPRDRKSTGSPAGSDVVPLPEVGWATAAHELSKVLIPSHRQTTSYRPEELN

RPQEQAAPTAASVAADFFQREVDLHQSTDLHSKVVVVVHDACYGHRFSRPRTSKTALSYIVERPERIQACVVGVSAAYVLMAGRHAGKRFAPHPELDLHQLPAPPFQIRKTSRTMPITSAAVTHVHGTKWMDELKTMCDAAESRLALNGKELVRPRSSGKDGDSAKKAPLNDGDLYLCSESLNAFEGALGGVCEGVDAVFNSNTTKRAFVCIRPPGHHCSTSHPSGFCWINNVHVGITYAAMTHGLTHAAILDFDLHHGDGSQDIAWEQNQKAVSAAWNAANHKKTRIGYFSLHDINSFPCEYGDVEKVRNASVCIDKAHGQSIWNVHLETWKSDAEFWEIYAAKYTILLEKARAFLRLHTERLLDSAPGDTPPKAAIFISAGFDASEWEGSGMQRHQVNVPTEFYAKFTADVVQMAEEEGLGVDGRVISVLEGGYSNRALTSGVLSHLAALGDTTTLSAIVNHEQQVGLASEMFDRLHVSDSNAPAEALRTPSDIGYDSQWWAPTRLDELEALVYPPPSTAPKSKSARTYFAPTQSFAAKVVAAPRDRKSTGSPAGSDVVPLPEVGWATAAHELSKVLIPSHRQTTSYRPEELN
Non polymer #2 K

InChI=1S/K/q+1

[K+]
Non polymer #3 LBH

InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+

Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference