Table 5.
Ligand interaction with amino acid residues of HDAC class II Homo sapiens.
| Ligand | Docking interactions | |||||
|---|---|---|---|---|---|---|
| HDAC4 | HDAC5 | HDAC6 | HDAC7 | HDAC9 | HDAC10 | |
| Nova2 (9058064-6) | Zn2+, Arg37, Trp195, Asp220 | Zn2+, His833, His872, Trp869, Leu892, Tyr937, Phe983 | Zn2+, His7, Leu8, Ala10 | Zn2+, Arg547, His843, Asp801, His709, Arg731, Trp706 | Zn2+, Arg606, Asp820, Tyr887, Ala911, Gly912, Asp914 | Zn2+, Arg30, Trp171, His174, Arg196, Phe254, Asp265 |
|
| ||||||
| Nova2 (95752-88-8) | Zn2+, Arg37 | Zn2+, His833, Asp870, His872, Tyr937, Trp869, Asp964 | Zn2+, His7, Val9 | Zn2+, Arg547, Tyr774, Gly799, Asp801, His843 | Zn2+, Arg660, Phe833, Gly912, Asp914 | Zn2+, Arg30, Trp171, Gly263, Phe282, Gly303, Gly304 |
|
| ||||||
| Nova2 (88765-82-6) | Zn2+, Asp290, Glu329, Trp195, Phe289 | Zn2+, His872, Arg710, Asp870, Asp964, Gly1005 | Zn2+, Arg 47, Ala80 | Zn2+, Arg547, Ala798, Phe800, Gly841, His843, | Zn2+, Asp820, Leu842, Glu853, Asp914 | Zn2+, Asp172, Asp265 |
|
| ||||||
| Nova2 (Unique10) | Zn2+, Arg37, trp195, Ser287, Gly288 | Zn2+, His833, His872, Asp964, Leu973 | Zn2+ | Zn2+, Arg547, Asp707, Trp706, Asp801, Gly799, His843, | Zn2+, Arg660, Gly791, Asp914 | Zn2+, Asp172, Tyr238, Asp265, Glu302 |
|
| ||||||
| Nova2 (16876-27-0) | Zn2+, Gly288 | Zn2+, Asp870, His872, Arg710 | Zn2+ | Zn2+, Arg547 | Zn2+, Arg660, Asp914 | Zn2+, Asp172, Asp265 |
|
| ||||||
| Nova2 (513246-99-6) | Zn2+, Ser287, Gly288, Asp290, Leu304 | Zn2+, His833, Asp870, His872, Gly962 | Zn2+, Ser72, Trp74, Tyr77 | Zn2+, His709, Gly799, Asp801, His843 | Zn2+, Arg660, Arg778, His822, Asp914, His956 | Zn2+, Trp171, Asp172, Tyr238, ASp265, Ser266 |
|
| ||||||
| Nova2 (Unique80) | Zn2+, Gly288, Asp290 | Zn2+, Arg710, Trp869, Ala961, Phe963 | Zn2+, Leu64, Typ74 | Zn2+, Val708, Gly812, His843 | Zn2+, His822, Asp914, Gly 954 | Zn2+, Trp171, Asp172, Trp228, Tyr238, Gly303 |
|
| ||||||
| Nova2 (279262-23-6) | Zn2+, Ser287, Asp290, Phe209, Ala327 | Zn2+, Arg710, Asp870, Gly962, Gly1005 | Zn2+, Val9 | Zn2+, Arg547, Trp706, Asp801, His843 | Zn2+, Arg660, Asp820, Asp914 | Zn2+, Asp172, Tyr238, Phe264, Asp265 |
|
| ||||||
| SAHA | Zn2+, Asp196, His198, Asp290 | Zn2+, Asp870, His872, Asp964, Gly1005 | Zn2+, Cys5, His7, Cys75, Cys78 | Zn2+, Asp707, His709, Asp801, Tyr813 | Zn2+, Arg660, Gly954, Gly955 | Zn2+, Trp171, Asp172, Val173, His174, Asp265, Phe282 |
|
| ||||||
| TSA | Zn2+, Asp196, His198, Asp290, Ser287 | Zn2+, Asp870, His872, Asp964, Arg710 | Zn2+, Cys75, Cys78 | Zn2+, Asp707, His709, Asp801 | Zn2+, Asp820, His822, Asp914, Gly955 | Zn2+, Asp172, Val173, His174, Asp265, Phe282 |