Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98698 | Target Info | |||
| Target Name | Histone deacetylase 7 (HDAC7) | ||||
| Synonyms | Histone deacetylase 7A; HDAC7A; HD7a; HD7 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | HDAC7 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Vorinostat | Ligand Info | |||||
| Structure Description | Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA | PDB:3C0Z | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
TLPFTTGLIY
524 DSVMLKHQCS534 CGDNSRHPEH544 AGRIQSIWSR554 LQERGLRSQC564 ECLRGRKASL 574 EELQSVHSER584 HVLLYGTNPL594 SRLKLDNGKL604 AGLLAQVMLP617 CGGVGVDTDT 627 IWNELHSSNA637 ARWAAGSVTD647 LAFKVASREL657 KNGFAVVRPP667 GHHADHSTAM 677 GFCFFNSVAI687 ACRQLQQQSK697 ASKILIVDWD707 VHHGNGTQQT717 FYQDPSVLYI 727 SLHRHDDGNF737 FPGSGAVDEV747 GAGSGEGFNV757 NVAWAGGLDP767 PMGDPEYLAA 777 FRIVVMPIAR787 EFSPDLVLVS797 AGFDAAEGHP807 APLGGYHVSA817 KCFGYMTQQL 827 MNLAGGAVVL837 ALEGGHDLTA847 ICDASEACVA857 ALLGNRVDPL867 SEEGWKQKPN 877 LNAIRSLEAV887 IRVHSKYWGC897 MQR
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| Ligand Name: Trichostatin A | Ligand Info | |||||
| Structure Description | Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA) | PDB:3C10 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
TLPFTTGLIY
524 DSVMLKHQCS534 CGDNSRHPEH544 AGRIQSIWSR554 LQERGLRSQC564 ECLRGRKASL 574 EELQSVHSER584 HVLLYGTNPL594 SRLKLDNGKL604 AGLLAQVMLP617 CGGVGVDTDT 627 IWNELHSSNA637 ARWAAGSVTD647 LAFKVASREL657 KNGFAVVRPP667 GHHADHSTAM 677 GFCFFNSVAI687 ACRQLQQQSK697 ASKILIVDWD707 VHHGNGTQQT717 FYQDPSVLYI 727 SLHRHDDGNF737 FPGSGAVDEV747 GAGSGEGFNV757 NVAWAGGLDP767 PMGDPEYLAA 777 FRIVVMPIAR787 EFSPDLVLVS797 AGFDAAEGHP807 APLGGYHVSA817 KCFGYMTQQL 827 MNLAGGAVVL837 ALEGGHDLTA847 ICDASEACVA857 ALLGNRVDPL867 SEEGWKQKPN 877 LNAIRSLEAV887 IRVHSKYWGC897 MQR
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| Ligand Name: TMP269 | Ligand Info | |||||
| Structure Description | HDAC7 bound with inhibitor TMP269 | PDB:3ZNR | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
LPFTTGLIYD
525 SVMLKHQCSC535 GDNSRHPEHA545 GRIQSIWSRL555 QERGLRSQCE565 CLRGRKASLE 575 ELQSVHSERH585 VLLYGTNPLS595 VMLPCGGVGV623 DTDTIWNELH633 SSNAARWAAG 643 SVTDLAFKVA653 SRELKNGFAV663 VRPPGHHADH673 STAMGFCFFN683 SVAIACRQLQ 693 QQSKASKILI703 VDWDVHHGNG713 TQQTFYQDPS723 VLYISLHRHD733 DGNFFPGSGA 743 VDEVGAGSGE753 GFNVNVAWAG763 GLDPPMGDPE773 YLAAFRIVVM783 PIAREFSPDL 793 VLVSAGFDAA803 EGHPAPLGGY813 HVSAKCFGYM823 TQQLMNLAGG833 AVVLALEGGH 843 DLTAICDASE853 ACVAALLGNR863 VDPLSEEGWK873 QKPNLNAIRS883 LEAVIRVHSK 893 YWGCMQRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NU9 or .NU92 or .NU93 or :3NU9;style chemicals stick;color identity;select .A:542 or .A:543 or .A:547 or .A:626 or .A:667 or .A:669 or .A:670 or .A:678 or .A:679 or .A:680 or .A:707 or .A:709 or .A:738 or .A:801 or .A:809 or .A:810 or .A:840 or .A:841 or .A:842 or .A:843; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO542
3.268
GLU543
3.680
ARG547
3.774
ASP626
4.062
PRO667
3.187
HIS669
2.750
HIS670
3.193
GLY678
3.525
PHE679
3.601
CYS680
3.392
|
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| Ligand Name: N-{[1-Methyl-4-(4-Phenyl-1,3-Thiazol-2-Yl)piperidin-4-Yl]methyl}-3-[5-(Trifluoromethyl)-1,2,4-Oxadiazol-3-Yl]benzamide | Ligand Info | |||||
| Structure Description | HDAC7 bound with TFMO inhibitor tmp942 | PDB:3ZNS | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
LPFTTGLIYD
525 SVMLKHQCSC535 GDNSRHPEHA545 GRIQSIWSRL555 QERGLRSQCE565 CLRGRKASLE 575 ELQSVHSERH585 VLLYGTNPLS595 VMLPCGGVGV623 DTDTIWNELH633 SSNAARWAAG 643 SVTDLAFKVA653 SRELKNGFAV663 VRPPGHHADH673 STAMGFCFFN683 SVAIACRQLQ 693 QQSKASKILI703 VDWDVHHGNG713 TQQTFYQDPS723 VLYISLHRHD733 DGNFFPGSGA 743 VDEVGAGSGE753 GFNVNVAWAG763 GLDPPMGDPE773 YLAAFRIVVM783 PIAREFSPDL 793 VLVSAGFDAA803 EGHPAPLGGY813 HVSAKCFGYM823 TQQLMNLAGG833 AVVLALEGGH 843 DLTAICDASE853 ACVAALLGNR863 VDPLSEEGWK873 QKPNLNAIRS883 LEAVIRVHSK 893 YWGCMQRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NU7 or .NU72 or .NU73 or :3NU7;style chemicals stick;color identity;select .A:540 or .A:542 or .A:543 or .A:547 or .A:626 or .A:667 or .A:669 or .A:670 or .A:678 or .A:679 or .A:680 or .A:707 or .A:709 or .A:738 or .A:801 or .A:809 or .A:810 or .A:840 or .A:841 or .A:842 or .A:843; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG540
4.581
PRO542
3.460
GLU543
3.894
ARG547
3.932
ASP626
3.592
PRO667
3.252
HIS669
2.784
HIS670
3.018
GLY678
3.407
PHE679
3.309
CYS680
3.523
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity. J Biol Chem. 2008 Apr 25;283(17):11355-63. | ||||
| REF 2 | Selective class IIa histone deacetylase inhibition via a nonchelating zinc-binding group. Nat Chem Biol. 2013 May;9(5):319-25. | ||||
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