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4CBY

Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, DHISTONE DEACETYLASE 4polymer39542755.64UniProt (P56524)
Pfam (PF00850)
In PDB
HOMO SAPIENS (HUMAN)HD4, HDAC4
2A, B, C, D(1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamidenon-polymer320.34Chemie (KEE)
3A, B, C, DZINC IONnon-polymer65.48Chemie (ZN)
4A, B, C, DSODIUM IONnon-polymer23.08Chemie (NA)
5waterwater18.091Chemie (HOH)
Sequence modifications
A, B, C, D: 648 - 1033 (UniProt: P56524)
PDBExternal DatabaseDetails
Met 645-expression tag
Gly 646-expression tag
Ser 647-expression tag
Ala 728Leu 728engineered mutation
His 1034-expression tag
His 1035-expression tag
His 1036-expression tag
His 1037-expression tag
His 1038-expression tag
His 1039-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight171022.2
Non-Polymers*Number of molecules20
Total formula weight1988.6
All*Total formula weight173010.8
*Water molecules are not included.

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PDB entries from 2024-09-18

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