Skip to main content

Table 3 Interaction of SAHA standard ligand and first modified ligand with class II HDAC Homo sapiens.

From: In silico modification of suberoylanilide hydroxamic acid (SAHA) as potential inhibitor for class II histone deacetylase (HDAC)

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

1a

Zn2+, Asp287, His155, Pro295

Zn2+, Asp178, His140, His180

Zn2+, His32, His33, Tyr204

Zn2+, Asp191, Glu115, His153

Zn2+, Asp282, His150, His151

Zn2+, Asp133, His95, His96, Tyr266

1b

Zn2+, Asp193, His155, Pro295

Zn2+, Asp178, His140, His141, Pro280

Zn2+, Asp164, His32, His33, Tyr204

Zn2+, Ala160, Asp191, Glu115, His153, His154, Thr109

Zn2+, Asp105, Asp107, Asp188, His150, His151

Zn2+, Asn103, Asp133, His95, His96

1c

Zn2+, Asp193, His155, Leu296

Zn2+, Asp178, His140

Zn2+, His32, His33, Thr100, Tyr204

Zn2+, Asp191, Glu115, His153, His154, Thr109

Zn2+, Asp188, Asp282, His150, His151

Zn2+, Asp133, His95, His96, Tyr226

1d

Zn2+, Asp287, His155

Zn2+, Asp178, His140, Glu102

Zn2+, His32, Thr100, Tyr204

Zn2+, Asp285, Glu115, His154, Thr109

Zn2+, Asp188, His150, His151, Pro290

Zn2+, Asp133, His95, His96

1e

Zn2+, Asp193, His155, Pro295

Zn2+, Glu102, Gly149, His140

Zn2+, Asp164, His32, His33, Pro103, Tyr204

Zn2+, Ala160, Asp191, Glu115, His153, Thr109, Thr111

Zn2+, Asp105, His150, His151

Zn2+, His95, His96, Asp133

1f

Zn2+, Asp287, Gly328, His155, Pro295

Zn2+, Asp178, Gu102, His140

Zn2+, Asp164, His32, His33, Thr100, Tyr204

Zn2+, Asp110, Asp191, His153, His154, Thr109, Thr111

Zn2+, Asp188, His150

Zn2+, Asp133, His95, His96

  1. * Bold is the catalytic sites.
Back to article page

BMC Bioinformatics

ISSN: 1471-2105

Contact us