Advances in Bioinformatics / 2014 / Article / Tab 5

Research Article

Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

Table 5

Ligand interaction with amino acid residues of HDAC class II Homo sapiens.

LigandDocking interactions

Nova2 (9058064-6)Zn2+, Arg37, Trp195, Asp220Zn2+, His833, His872, Trp869, Leu892, Tyr937, Phe983Zn2+, His7, Leu8, Ala10Zn2+, Arg547, His843, Asp801, His709, Arg731, Trp706Zn2+, Arg606, Asp820, Tyr887, Ala911, Gly912, Asp914Zn2+, Arg30, Trp171, His174, Arg196, Phe254, Asp265

Nova2 (95752-88-8)Zn2+, Arg37Zn2+, His833, Asp870, His872, Tyr937, Trp869, Asp964Zn2+, His7, Val9Zn2+, Arg547, Tyr774, Gly799, Asp801, His843Zn2+, Arg660, Phe833, Gly912, Asp914Zn2+, Arg30, Trp171, Gly263, Phe282, Gly303, Gly304

Nova2 (88765-82-6)Zn2+, Asp290, Glu329, Trp195, Phe289Zn2+, His872, Arg710, Asp870, Asp964, Gly1005Zn2+, Arg 47, Ala80Zn2+, Arg547, Ala798, Phe800, Gly841, His843, Zn2+, Asp820, Leu842, Glu853, Asp914Zn2+, Asp172, Asp265

Nova2 (Unique10)Zn2+, Arg37, trp195, Ser287, Gly288Zn2+, His833, His872, Asp964, Leu973Zn2+Zn2+, Arg547, Asp707, Trp706, Asp801, Gly799, His843, Zn2+, Arg660, Gly791, Asp914Zn2+, Asp172, Tyr238, Asp265, Glu302

Nova2 (16876-27-0)Zn2+, Gly288Zn2+, Asp870, His872, Arg710Zn2+Zn2+, Arg547Zn2+, Arg660, Asp914Zn2+, Asp172, Asp265

Nova2 (513246-99-6)Zn2+, Ser287, Gly288, Asp290, Leu304Zn2+, His833, Asp870, His872, Gly962Zn2+, Ser72, Trp74, Tyr77Zn2+, His709, Gly799, Asp801, His843Zn2+, Arg660, Arg778, His822, Asp914, His956Zn2+, Trp171, Asp172, Tyr238, ASp265, Ser266

Nova2 (Unique80)Zn2+, Gly288, Asp290Zn2+, Arg710, Trp869, Ala961, Phe963Zn2+, Leu64, Typ74Zn2+, Val708, Gly812, His843Zn2+, His822, Asp914, Gly 954Zn2+, Trp171, Asp172, Trp228, Tyr238, Gly303

Nova2 (279262-23-6)Zn2+, Ser287, Asp290, Phe209, Ala327Zn2+, Arg710, Asp870, Gly962, Gly1005Zn2+, Val9Zn2+, Arg547, Trp706, Asp801, His843Zn2+, Arg660, Asp820, Asp914Zn2+, Asp172, Tyr238, Phe264, Asp265

SAHAZn2+, Asp196, His198, Asp290Zn2+, Asp870, His872, Asp964, Gly1005Zn2+, Cys5, His7, Cys75, Cys78Zn2+, Asp707, His709, Asp801, Tyr813Zn2+, Arg660, Gly954, Gly955Zn2+, Trp171, Asp172, Val173, His174, Asp265, Phe282

TSAZn2+, Asp196, His198, Asp290, Ser287Zn2+, Asp870, His872, Asp964, Arg710Zn2+, Cys75, Cys78Zn2+, Asp707, His709, Asp801Zn2+, Asp820, His822, Asp914, Gly955Zn2+, Asp172, Val173, His174, Asp265, Phe282