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. 2011 Nov 30;12(Suppl 13):S23. doi: 10.1186/1471-2105-12-S13-S23

Table 4.

Interaction of SAHA standard ligand and second modified ligand with class II HDAC Homo sapiens.

Ligand Docking interaction

HDAC 4 HDAC 5 HDAC 6 HDAC 7 HDAC 9 HDAC 10
SAHA Zn2+, Asp287, His155, His 195 Zn2+, Asp272, His 140 Zn2+, His32, His33, Tyr204 Zn2+, Asp191, His153, His154 Zn2+, Asp188, His22, His150, His151 Zn2+, Asp226, His95, His96, Phe163, Tyr266

2b Zn2+, Asp193, Glu117, His155, Pro162, Tyr167 Zn2+, His140 Zn2+, Ala39, Asp71, His32, His33, Gly202 Zn2+, Ala160, Glu115, His153, Phe163, Thr109, Thr111 Zn2+, Asp188, His150, His151, Pro220 Zn2+, Asn103, Asp133, His95, Phe163

2c Zn2+, Asp193, His155 Zn2+, Asp178, His140 Zn2+, His32, His33, Tyr204 Zn2+, Asp191, Glu115, His153, Thr109, Thr111 Zn2+, Asp188, Gly322, His150, His151 Zn2+, Asp133, His95, His96, Phe163

2d Zn2+, Asp193, His155, Tyr167 Zn2+ ,Asp178, His140, His141, Glu102 Zn2+, His32, His33, Tyr204 Zn2+, His153, His154, Phe163 Zn2+, Asn217, Asp188, His190 Zn2+, Asn103, Asp133, His95, His96, Tyr266

2e Zn2+, Asp193, His155 Zn2+, Asp178, His140, Tyr60 Zn2+, Gly99, His32, His33, Tyr204 Zn2+, Asp285, Glu115, Gly326 Zn2+, Asp188, His150, His151, His190, Ser19, Thr20 Zn2+, Asp133, Gln98, His96, Phe163

2f Zn2+, Asp193, His155, His195 Zn2+, Asp178, His140, Phe209 Zn2+, His32, Thr100 Zn2+, Asp110, Asp285, His153, His154 Zn2+, Asp188, Asp217, Gly322, His150, His151 Zn2+, Asn103, Asp133, His95, His96,

* Bold is the catalytic sites..