POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		1mi1 NEUROBEACHIN
(Homo
sapiens)		5 / 11PRO A2311
TYR A2429
PHE A2330
ASP A2332
LEU A2333
None
1.46A22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		2rv3 ZINC FINGER PROTEIN
ZFAT
(Homo
sapiens)		5 / 11HIS A  32
HIS A  28
PHE A  19
ASP A  13
LEU A  11
 ZN  A 101 (-3.1A)
ZN  A 101 (-3.1A)
None
None
None
1.44A7.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 11PRO A 542
HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
LEU A 810
TSN  A 301 ( 4.5A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 (-4.2A)
0.76A24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11HIS A 146
HIS A 183
ASP A 269
LEU A 276
TYR A 308
LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
0.98A34.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		10 / 11PRO A  34
HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
0.50A34.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A 135
HIS A 172
ASP A 259
LEU A 266
TYR A 298
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
1.02A34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		10 / 11PRO A  23
HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
0.44A34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11TYR A 146
HIS A 134
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.38A34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 11HIS B 141
HIS B 178
ASP B 264
LEU B 271
TYR B 303
ACT  B 601 (-3.8A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
0.90A32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		10 / 11PRO B  29
HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
0.48A32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 11PRO B  29
HIS B 140
HIS B 178
ASP B 264
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
1.27A32.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 11PRO A 676
HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
LEU A 943
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
None
0.68A27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 11PRO A 676
HIS A 802
HIS A 803
PHE A 812
ASP A 840
HIS A 842
PHE A 871
ASP A 934
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
0.62A27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 611
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.89A18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		10 / 11PRO B 501
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.60A18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		8 / 11HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
0.38A32.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		6ez8 FACTOR VIII INTRON
22 PROTEIN
HUNTINGTIN
(Homo
sapiens)		5 / 11PRO B 282
HIS A2909
PHE A2965
ASP B 196
LEU B 201
None
1.43A11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)
(Homo
sapiens)		5 / 12ASP A  79
HIS A  59
HIS A  54
ASP A  58
HIS A  56
None
ZN  A 262 ( 3.3A)
ZN  A 261 ( 3.4A)
ZN  A 262 (-2.7A)
ZN  A 261 ( 3.3A)
1.41A21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 12ASP A 626
GLY A 678
PHE A 679
HIS A 709
PHE A 738
ASP A 707
TSN  A 301 ( 4.0A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 (-2.1A)
1.28A26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 12ASP A 626
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
0.53A26.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		10 / 12ASP A 104
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
TYR A 308
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
0.35A41.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12TYR A 157
HIS A 145
HIS A 183
ASP A 269
TYR A 308
None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
1.48A41.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		10 / 12ASP A  93
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
TYR A 298
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
0.32A40.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12TYR A 146
HIS A 134
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.37A40.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12ASP B  99
GLY B 149
PHE B 150
ASP B 264
HIS B 178
PHE B 205
None
None
None
ZN  B 600 ( 2.5A)
ZN  B 600 (-3.3A)
None
1.24A33.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		10 / 12ASP B  99
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
TYR B 303
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
0.61A33.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 12HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
0.39A27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 12HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
PHE A 871
ASP A 934
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
0.69A27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 12HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
0.41A20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2
(Homo
sapiens)		5 / 12ASP B  49
HIS B 260
GLY B 259
PHE B 256
ASP B 521
None
1.45A11.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		11 / 12ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
MET A 274
TYR A 306
None
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
EDO  A 407 ( 3.3A)
0.35A98.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		1kcw CERULOPLASMIN
(Homo
sapiens)		5 / 11HIS A 978
HIS A 103
HIS A 101
GLY A 981
TYR A 107
 CU  A1052 ( 3.2A)
CU  A1051 (-3.3A)
CU  A1052 (-3.2A)
O  A1058 ( 4.9A)
None
1.20A15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens)		5 / 11LEU A 152
ILE A 219
HIS A  14
PHE A  13
GLY A 229
LEU  A 152 ( 0.6A)
ILE  A 219 ( 0.7A)
HIS  A  14 ( 1.0A)
PHE  A  13 ( 1.3A)
GLY  A 229 ( 0.0A)
0.99A22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		2vif SUPPRESSOR OF
CYTOKINE SIGNALLING
6
(Homo
sapiens)		5 / 11LEU A 420
ILE A 433
HIS A 451
PHE A 442
ASP A 464
None
1.14A17.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 11HIS A 669
HIS A 670
ASP A 707
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 ( 2.5A)
None
1.14A33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		8 / 11HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.48A33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 11PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.17A33.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
1.16A25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11HIS A 145
HIS A 146
ASP A 181
PHE A 210
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
0.92A25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		9 / 11HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.57A25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A 134
HIS A 135
PHE A 144
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
1.12A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		9 / 11HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.57A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
1.04A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11LEU A  29
HIS A 134
ASP A 170
ASP A 259
GLY A 257
None
ACT  A 501 (-4.0A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
1.25A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		9 / 11HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.58A23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 11HIS A 802
HIS A 803
ASP A 840
ASP A 934
GLY A 932
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 ( 2.4A)
None
1.20A32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 11HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.48A32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 11HIS A 802
HIS A 803
PHE A 812
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.73A32.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.17A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 11HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.47A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.26A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 11ILE B 569
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
None
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.33A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5uem 354NC37 FAB HEAVY
CHAIN
354NC37 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 11LEU L  28
ILE L   2
HIS H  35
ASP H  95
GLY H 100
None
1.10A15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 11HIS A 142
HIS A 143
PHE A 152
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
1.03A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		9 / 11HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.55A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 11HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.06A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		6cud SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 3
(Homo
sapiens)		5 / 11LEU A 275
PHE A 308
HIS A 311
ASP A 263
GLY A 260
None
1.05A11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		2i7d 5'(3')-DEOXYRIBONUCL
EOTIDASE, CYTOSOLIC
TYPE
(Homo
sapiens)		5 / 12LEU A 102
HIS A 167
ASP A 145
PHE A  18
PHE A  71
DUR  A 300 (-4.7A)
None
MG  A 728 (-2.6A)
DUR  A 300 (-3.6A)
None
1.17A20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12HIS A 669
HIS A 670
ASP A 707
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 ( 2.5A)
None
1.16A33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		8 / 12HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.41A33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.19A33.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
1.19A25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		9 / 12HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.49A25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		9 / 12HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.51A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
1.01A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		9 / 12HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.50A23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 12HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.39A32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 12HIS A 802
HIS A 803
PHE A 812
HIS A 842
PHE A 871
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
KEE  A2033 (-3.6A)
0.73A32.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4gnk 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3
(Homo
sapiens)		5 / 12LEU B 160
ILE B 175
PHE B 179
PHE B 216
PHE B 208
None
1.22A15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5e6s INTEGRIN ALPHA-L
(Homo
sapiens)		5 / 12LEU A 394
ASP A 447
ASP A 443
GLY A 448
PHE A 479
None
CA  A2002 (-2.4A)
CA  A2002 (-3.1A)
None
None
0.99A18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.20A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 12HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.41A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12ILE B 569
HIS B 610
HIS B 611
ASP B 649
GLY B 780
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
TSN  B2501 ( 4.0A)
1.11A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5nfb GALECTIN-3
(Homo
sapiens)		5 / 12ILE A 171
PHE A 192
ASP A 239
GLY A 238
PHE A 190
None
1.23A18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
HIS A 143
PHE A 152
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
1.01A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		9 / 12HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.49A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.03A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens)		5 / 12LEU A 152
ILE A 219
HIS A  14
PHE A  13
GLY A 229
LEU  A 152 ( 0.6A)
ILE  A 219 ( 0.7A)
HIS  A  14 ( 1.0A)
PHE  A  13 ( 1.3A)
GLY  A 229 ( 0.0A)
0.97A22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 12ASP A 624
HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
None
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.71A33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12ASP A 624
HIS A 709
GLY A 678
ASP A 801
GLY A 841
None
ZN  A 101 (-3.1A)
TSN  A 301 ( 3.7A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
1.12A33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12HIS A 669
HIS A 670
ASP A 707
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 ( 2.5A)
None
1.14A33.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2
(Homo
sapiens)		5 / 12LEU A 554
ILE A 407
GLY A 405
HIS A 401
ASP A 382
None
1.10A21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		9 / 12HIS A 145
HIS A 146
GLY A 154
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.57A25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A
(Homo
sapiens)		5 / 12ASP A  20
HIS A 152
GLY A  59
HIS A 126
GLY A 154
 MN  A 412 (-3.1A)
None
None
None
None
1.12A22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 135
GLY A 143
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
0.89A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		9 / 12HIS A 134
HIS A 135
GLY A 143
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.53A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
1.04A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12ASP B  99
HIS B 140
HIS B 141
GLY B 149
ASP B 176
GLY B 300
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
1.15A23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		7 / 12ASP B  99
HIS B 140
HIS B 141
GLY B 149
ASP B 176
PHE B 205
GLY B 301
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
None
ACT  B 601 (-3.4A)
1.16A23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		9 / 12HIS B 140
HIS B 141
GLY B 149
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.58A23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 12HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.45A32.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4zrq CD320 ANTIGEN
TRANSCOBALAMIN-2
(Homo
sapiens)		5 / 12LEU A  94
HIS A 104
GLY A 106
ASP C  75
ASP C  79
None
None
None
CA  C 202 (-3.2A)
CA  C 202 (-3.3A)
1.02A23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5d3q DYNAMIN-1,DYNAMIN-1
(Homo
sapiens)		5 / 12LEU A 181
ILE A 204
GLY A 202
ASP A 194
GLY A 197
None
1.01A20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		7 / 12ASP B 567
HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 780
TYR B 782
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.05A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 12HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.45A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 12ILE B 569
HIS B 610
HIS B 611
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.16A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5uem 354NC37 FAB HEAVY
CHAIN
354NC37 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12LEU L  28
ILE L   2
HIS H  35
ASP H  95
GLY H 100
None
1.12A15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
HIS A 143
GLY A 151
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
ZN  A 401 ( 2.3A)
None
0.83A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		9 / 12HIS A 142
HIS A 143
GLY A 151
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.52A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.06A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5wcd VRC315 04-1D02 FAB
HEAVY CHAIN
(Homo
sapiens)		5 / 12LEU H  78
ASP H  73
GLY H  30
ASP H  98
GLY H  99
None
1.14A20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C
(Homo
sapiens)		5 / 12LEU C 377
ILE C 384
GLY C 386
PHE C 284
GLY C 480
None
1.10A11.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		7 / 9HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
0.43A33.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		8 / 9HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
0.56A25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		8 / 9HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
0.56A26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		8 / 9HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
0.58A23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 9HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
0.44A32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 9HIS A 802
HIS A 803
PHE A 812
HIS A 842
PHE A 871
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
0.75A32.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		8 / 9HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
0.46A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		7 / 9ILE B 569
HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
TYR B 782
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
0.97A21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		8 / 9HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
0.53A26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		1now BETA-HEXOSAMINIDASE
BETA CHAIN
(Homo
sapiens)		4 / 5HIS A 237
ASP A 290
HIS A 294
ASP A 354
None
None
IFG  A 557 ( 4.3A)
IFG  A 557 (-3.6A)
1.19A21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens)		4 / 5HIS I 204
ASP I 258
HIS I 262
ASP I 322
None
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
1.22A23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B
(Homo
sapiens)		4 / 5HIS M 237
ASP M 290
HIS M 294
ASP N 354
None
1.17A18.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 5HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
0.08A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens)		4 / 5HIS A  86
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
1.17A20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 5HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
0.21A25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 5HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
0.16A24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 5HIS B 140
HIS B 141
ASP B 176
HIS B 178
ASP B 264
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
0.26A23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 5HIS A 802
HIS A 803
ASP A 840
HIS A 842
ASP A 934
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
0.21A69.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens)		4 / 5HIS A  47
HIS A 114
ASP A 110
HIS A 152
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
1.26A20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 5HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
0.24A28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 5HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
0.16A25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		1icf PROTEIN (CATHEPSIN
L: HEAVY CHAIN)
PROTEIN (INVARIANT
CHAIN)
(Homo
sapiens)		4 / 8HIS A 140
PHE A 143
ASP A 162
GLY I 229
None
0.90A18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens)		4 / 8HIS A 584
ASP A 568
PHE A 542
GLY A 564
None
0.87A21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 8HIS A 669
HIS A 670
ASP A 707
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 ( 2.5A)
None
1.27A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		8 / 8HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.14A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 8PHE A 679
ASP A 801
HIS A 709
PHE A 738
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 ( 2.5A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
None
1.43A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 8PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.17A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		4 / 8PHE A 738
ASP A 801
PHE A 679
ASP A 707
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
0.79A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3d34 SPONDIN-2
(Homo
sapiens)		4 / 8ASP A 134
PHE A 169
ASP A 162
GLY A 164
 CA  A 228 (-2.3A)
None
CA  A 228 (-2.1A)
CA  A 228 ( 4.4A)
0.83A20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		4 / 8HIS A 145
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
0.87A25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 8HIS A 145
HIS A 146
ASP A 181
PHE A 210
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
0.94A25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		8 / 8HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
0.37A25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		4 / 8PHE A 210
ASP A 269
PHE A 155
ASP A 181
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
0.90A25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		5 / 8HIS A  67
HIS A  62
ASP A  66
HIS A  64
GLY A  65
 ZN  A1363 (-3.4A)
ZN  A1364 (-3.5A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.2A)
None
1.29A21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		4 / 8HIS A 134
ASP A 170
ASP A 259
GLY A 257
ACT  A 501 (-4.0A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
0.85A24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		4 / 8HIS A 134
HIS A 135
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
None
0.80A24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		8 / 8HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
0.38A24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		4 / 8PHE A 200
ASP A 259
PHE A 144
ASP A 170
None
ZN  A 500 ( 2.4A)
None
ZN  A 500 (-2.2A)
0.89A24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 8HIS B 140
HIS B 141
ASP B 176
ASP B 264
GLY B 262
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 ( 2.5A)
None
1.42A23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		4 / 8HIS B 140
HIS B 141
ASP B 176
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
0.77A23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		8 / 8HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
0.37A23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		4 / 8PHE B 205
ASP B 264
PHE B 150
ASP B 176
None
ZN  B 600 ( 2.5A)
None
ZN  B 600 (-2.2A)
0.75A23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 8HIS A 802
HIS A 803
PHE A 812
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.56A69.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		4 / 8PHE A 871
ASP A 934
PHE A 812
ASP A 840
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
0.90A69.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL
(Homo
sapiens)		5 / 8HIS A  79
HIS A  81
ASP A 154
HIS A 195
GLY A 153
 FE  A 501 (-3.5A)
None
FE  A 501 (-3.1A)
None
None
1.39A19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		8 / 8HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
0.34A28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		4 / 8PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
0.82A28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		5lub LEGUMAIN
(Homo
sapiens)		4 / 8ASP B  48
HIS B  45
ASP B 231
GLY B 230
None
SNN  B 147 (-3.3A)
3Y7  B 304 (-3.7A)
None
0.92A19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 8HIS A 142
HIS A 143
PHE A 152
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
1.13A25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		8 / 8HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
0.39A25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		4 / 8PHE A 208
ASP A 267
PHE A 152
ASP A 178
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
0.85A25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		1e33 ARYLSULFATASE A
(Homo
sapiens)		4 / 6ASP P 173
HIS P 151
ASP P  29
HIS P 229
None
None
MG  P 603 (-3.1A)
None
1.15A22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)
(Homo
sapiens)		5 / 6ASP A  79
HIS A  59
HIS A  54
ASP A  58
HIS A  56
None
ZN  A 262 ( 3.3A)
ZN  A 261 ( 3.4A)
ZN  A 262 (-2.7A)
ZN  A 261 ( 3.3A)
1.36A19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5
(Homo
sapiens)		4 / 6ASP X 144
HIS X 193
HIS X 221
ASP X  12
None
None
FE2  X1305 (-3.4A)
FE2  X1305 (-3.1A)
1.13A22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 6ASP A 626
HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
0.23A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens)		4 / 6HIS A  86
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
1.21A20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		6 / 6ASP A 104
HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
0.40A25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 6ASP A  93
HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
0.27A24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 6ASP B  99
HIS B 140
HIS B 141
ASP B 176
HIS B 178
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
0.84A23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 6HIS B 140
HIS B 141
ASP B 176
HIS B 178
ASP B 264
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
0.30A23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 6HIS A 802
HIS A 803
ASP A 840
HIS A 842
ASP A 934
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
0.19A69.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL
(Homo
sapiens)		4 / 6ASP A 165
HIS A  79
HIS A 135
ASP A  83
None
FE  A 501 (-3.5A)
FE  A 501 (-3.4A)
None
0.87A19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		4 / 6ASP A 311
HIS A 210
ASP A 218
HIS A 215
DGT  A 701 (-2.4A)
DGT  A 701 (-4.5A)
None
DGT  A 701 (-3.6A)
1.05A20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		4 / 6HIS A 210
HIS A 215
ASP A 207
ASP A 311
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
1.17A22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 6ASP B 567
HIS B 610
HIS B 611
ASP B 649
HIS B 651
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
1.33A28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 6HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
0.26A28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 6ASP A 101
HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
None
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
0.36A25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		1zef ALKALINE PHOSPHATASE
(Homo
sapiens)		5 / 10HIS A 317
HIS A 320
PRO A  90
HIS A 432
GLY A  43
PHE  A 802 (-4.0A)
ZN  A 901 ( 3.3A)
None
ZN  A 901 ( 3.2A)
ZN  A 902 ( 4.9A)
1.43A23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 10HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
1.29A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 10HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.27A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 10HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
PRO A 807
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
0.80A25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 10HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
1.33A33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		7 / 10HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.24A33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		5 / 10HIS A  67
HIS A  62
ASP A  66
HIS A  64
GLY A  65
 ZN  A1363 (-3.4A)
ZN  A1364 (-3.5A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.2A)
None
1.33A21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 10HIS A 134
HIS A 135
ASP A 170
ASP A 259
GLY A 257
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
1.42A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		7 / 10HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.26A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 10HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.95A34.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		7 / 10HIS B 140
HIS B 141
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.27A30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 10HIS A 802
HIS A 803
ASP A 840
HIS A 842
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.26A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 10HIS A 802
HIS A 803
HIS A 842
ASP A 934
GLY A 932
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.26A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 10HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.33A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		8 / 10HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.37A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 10HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 10HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.27A19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		8 / 10HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.29A38.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 10HIS A 142
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.03A38.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		1lpb LIPASE
(Homo
sapiens)		5 / 12ASP B 225
HIS B 156
ASP B 176
HIS B 203
GLY B 216
None
1.43A22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		1zef ALKALINE PHOSPHATASE
(Homo
sapiens)		5 / 12HIS A 317
HIS A 320
PRO A  90
HIS A 432
GLY A  43
PHE  A 802 (-4.0A)
ZN  A 901 ( 3.3A)
None
ZN  A 901 ( 3.2A)
ZN  A 902 ( 4.9A)
1.43A23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1
(Homo
sapiens)		5 / 12ASP A 243
HIS A 175
ASP A 194
HIS A 221
GLY A 234
None
None
None
None
NA  A 480 (-4.3A)
1.45A23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2
(Homo
sapiens)		5 / 12ASP A 225
HIS A 156
ASP A 176
HIS A 203
GLY A 216
None
1.42A22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 842
 ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.01A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12ASP A 707
HIS A 709
PHE A 738
PRO A 807
GLY A 842
 ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
None
None
1.02A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		7 / 12HIS A 669
HIS A 670
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.31A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 12HIS A 669
HIS A 670
ASP A 707
HIS A 709
PHE A 738
PRO A 807
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
None
0.79A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12HIS A 669
HIS A 670
HIS A 709
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
1.22A25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
1.33A33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		8 / 12HIS A 145
HIS A 146
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.28A33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		5 / 12HIS A  67
HIS A  62
ASP A  66
HIS A  64
GLY A  65
 ZN  A1363 (-3.4A)
ZN  A1364 (-3.5A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.2A)
None
1.34A21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 135
ASP A 170
ASP A 259
GLY A 257
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
1.42A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		8 / 12HIS A 134
HIS A 135
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.34A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.97A34.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		8 / 12HIS B 140
HIS B 141
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.31A30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 12HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.30A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 12HIS A 802
HIS A 803
HIS A 842
ASP A 934
GLY A 932
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.25A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4
(Homo
sapiens)		5 / 12ASP A 335
HIS A  74
ASP A  34
HIS A 193
GLY A  35
None
None
ZN  A 505 (-2.1A)
ZN  A 506 ( 3.3A)
ZN  A 505 ( 4.8A)
1.46A21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.33A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 12HIS B 610
HIS B 611
ASP B 649
HIS B 651
PHE B 680
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.41A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.23A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.23A19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		9 / 12HIS A 142
HIS A 143
ASP A 178
HIS A 180
PHE A 208
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.32A38.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 142
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.04A38.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 12ASP A 707
HIS A 709
PHE A 738
ASP A 801
PRO A 807
GLY A 842
 ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
None
1.07A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		8 / 12HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.34A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		8 / 12HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PHE A 738
ASP A 801
PRO A 807
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
0.85A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 12HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PRO A 809
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
None
1.37A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12HIS A 669
HIS A 670
HIS A 709
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
1.20A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens)		5 / 12GLY A 300
ASP A 416
HIS A  88
ASP A 415
HIS A  86
CFE  A 513 (-3.3A)
CFE  A 513 (-2.8A)
CFE  A 513 ( 3.3A)
CFE  A 513 ( 2.8A)
ZN  A 512 (-3.4A)
0.90A20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 145
HIS A 146
GLY A 154
ASP A 181
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.5A)
0.82A33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		9 / 12HIS A 145
HIS A 146
GLY A 154
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.27A33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 135
GLY A 143
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
0.88A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		9 / 12HIS A 134
HIS A 135
GLY A 143
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.34A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.95A34.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B 140
HIS B 141
GLY B 149
ASP B 176
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
0.87A30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		9 / 12HIS B 140
HIS B 141
GLY B 149
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.30A30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 12HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.36A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 12HIS A 802
HIS A 803
HIS A 842
ASP A 934
GLY A 932
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.24A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12HIS A 135
GLY A 153
HIS A  81
ASP A  83
HIS A  84
 FE  A 501 (-3.4A)
None
None
None
None
1.25A21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		10 / 12HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.47A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.23A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.26A19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
HIS A 143
GLY A 151
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
ZN  A 401 ( 2.3A)
None
0.85A38.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		10 / 12HIS A 142
HIS A 143
GLY A 151
ASP A 178
HIS A 180
PHE A 208
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.33A38.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 142
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.01A38.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		10 / 12LYS A  33
HIS A 142
HIS A 143
ASP A 178
HIS A 180
PHE A 208
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.57A38.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12LYS A  33
HIS A 143
HIS A 180
ASP A 267
PRO A 273
TYR A 306
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
EDO  A 407 ( 3.3A)
1.27A38.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		1zef ALKALINE PHOSPHATASE
(Homo
sapiens)		5 / 10HIS A 317
HIS A 320
PRO A  90
HIS A 432
GLY A  43
PHE  A 802 (-4.0A)
ZN  A 901 ( 3.3A)
None
ZN  A 901 ( 3.2A)
ZN  A 902 ( 4.9A)
1.43A23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 10HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.25A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 10HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
PRO A 807
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
0.80A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 10HIS A 669
HIS A 670
ASP A 707
HIS A 709
PRO A 809
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
None
1.43A25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 10HIS A 669
HIS A 670
HIS A 709
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
1.21A25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 10HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
1.32A33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		7 / 10HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.23A33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		5 / 10HIS A  67
HIS A  62
ASP A  66
HIS A  64
GLY A  65
 ZN  A1363 (-3.4A)
ZN  A1364 (-3.5A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.2A)
None
1.33A21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 10HIS A 134
HIS A 135
ASP A 170
ASP A 259
GLY A 257
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
1.41A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		7 / 10HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.25A34.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 10HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.96A34.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		7 / 10HIS B 140
HIS B 141
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.27A30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 10HIS A 802
HIS A 803
ASP A 840
HIS A 842
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.26A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 10HIS A 802
HIS A 803
HIS A 842
ASP A 934
GLY A 932
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.25A24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 10HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.32A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		8 / 10HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.38A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 10HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 10HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.27A19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		8 / 10HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.26A38.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 10HIS A 142
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.03A38.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 12ASP A 626
GLY A 678
PHE A 679
HIS A 709
ASP A 707
GLY A 841
TSN  A 301 ( 4.0A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
ZN  A 101 (-2.1A)
TSN  A 301 ( 3.9A)
1.49A25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		10 / 12PRO A 542
ASP A 626
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
ASP A 801
GLY A 841
TSN  A 301 ( 4.5A)
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.50A25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 12PRO A 542
ASP A 626
PHE A 679
HIS A 709
ASP A 801
GLY A 842
TSN  A 301 ( 4.5A)
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
1.27A25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		5 / 12HIS A 285
GLY A 209
PHE A 211
ASP A 462
GLY A 483
None
None
None
TPQ  A 461 ( 3.9A)
TPQ  A 461 ( 4.4A)
1.00A19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		12 / 12HIS A  33
PRO A  34
ASP A 104
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
ASP A 269
GLY A 306
TYR A 308
None
None
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.20A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A  33
PRO A  34
ASP A 269
GLY A 307
TYR A 308
None
None
ZN  A 379 ( 2.5A)
None
LLX  A 400 (-4.4A)
1.16A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 145
HIS A 146
GLY A 154
ASP A 181
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.5A)
0.81A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12ASP A  93
HIS A 134
HIS A 135
GLY A 143
ASP A 170
GLY A 295
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
0.93A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A  22
ASP A  93
HIS A 172
PHE A 144
GLY A 297
None
None
ZN  A 500 (-3.1A)
None
None
1.15A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12HIS A  22
ASP A  93
PHE A 144
ASP A 259
GLY A 297
TYR A 298
None
None
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
1.22A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		12 / 12HIS A  22
PRO A  23
ASP A  93
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
ASP A 259
GLY A 296
TYR A 298
None
None
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.30A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.93A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12PRO A  23
HIS A 135
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.09A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12ASP B 181
GLY B 180
ASP B 264
HIS B 178
GLY B 301
None
None
ZN  B 600 ( 2.5A)
ZN  B 600 (-3.3A)
ACT  B 601 (-3.4A)
1.19A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B  28
PRO B  29
ASP B 264
GLY B 302
TYR B 303
None
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
1.11A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		11 / 12HIS B  28
PRO B  29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.27A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B 140
HIS B 141
GLY B 149
ASP B 176
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
0.88A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		11 / 12PRO B  29
ASP B  99
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.58A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12PRO B  29
HIS B 140
HIS B 178
ASP B 264
GLY B 301
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
1.19A93.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
ASP A 934
GLY A 974
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.38A29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
GLY A 974
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.6A)
0.57A29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4irq BETA-1,4-GALACTOSYLT
RANSFERASE 7
(Homo
sapiens)		5 / 12HIS A 195
HIS A 257
ASP A 163
GLY A 202
TYR A 199
None
MN  A 401 ( 3.5A)
UDP  A 402 (-3.3A)
None
TRS  A 403 (-4.9A)
1.12A22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4
(Homo
sapiens)		5 / 12HIS A 336
HIS A 193
GLY A 192
ASP A  34
GLY A  35
 ZN  A 506 ( 3.3A)
ZN  A 506 ( 3.3A)
None
ZN  A 505 (-2.1A)
ZN  A 505 ( 4.8A)
1.22A22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12ASP B 567
HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
1.31A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		11 / 12HIS B 500
PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.47A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.12A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12PRO B 607
HIS B 651
GLY B 619
ASP B 742
GLY B 780
None
ZN  B2502 (-3.2A)
TSN  B2501 ( 3.8A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
1.17A18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		7 / 12ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
GLY A 303
None
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
0.94A42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		10 / 12ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.31A42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.94A42.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		1kcw CERULOPLASMIN
(Homo
sapiens)		5 / 11HIS A 978
HIS A 103
HIS A 101
GLY A 981
TYR A 107
 CU  A1052 ( 3.2A)
CU  A1051 (-3.3A)
CU  A1052 (-3.2A)
O  A1058 ( 4.9A)
None
1.23A16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 11PRO A 542
ASP A 626
HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
ASP A 801
GLY A 841
TSN  A 301 ( 4.5A)
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.50A25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 11PRO A 542
ASP A 626
PHE A 679
HIS A 709
ASP A 801
GLY A 842
TSN  A 301 ( 4.5A)
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
1.26A25.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11ASP A 104
PHE A 155
HIS A 146
ASP A 181
GLY A 306
None
LLX  A 400 (-4.1A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.7A)
1.35A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		11 / 11HIS A  33
PRO A  34
ASP A 104
HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
ASP A 269
GLY A 306
TYR A 308
None
None
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.21A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11HIS A  33
PRO A  34
ASP A 269
GLY A 307
TYR A 308
None
None
ZN  A 379 ( 2.5A)
None
LLX  A 400 (-4.4A)
1.15A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
1.38A99.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		5 / 11HIS A  67
HIS A  62
ASP A  66
HIS A  64
GLY A  65
 ZN  A1363 (-3.4A)
ZN  A1364 (-3.5A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.2A)
None
1.32A21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11ASP A  93
HIS A 134
HIS A 135
ASP A 170
GLY A 295
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
None
1.00A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11ASP A  93
HIS A 172
PHE A 144
ASP A 264
GLY A 297
None
ZN  A 500 (-3.1A)
None
None
None
1.22A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A  22
ASP A  93
HIS A 172
PHE A 144
GLY A 297
None
None
ZN  A 500 (-3.1A)
None
None
1.15A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		11 / 11HIS A  22
PRO A  23
ASP A  93
HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
ASP A 259
GLY A 296
TYR A 298
None
None
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.35A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		7 / 11HIS A  22
PRO A  23
ASP A  93
PHE A 144
ASP A 259
GLY A 297
TYR A 298
None
None
None
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
1.14A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.96A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11PRO A  23
HIS A 135
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.07A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 11HIS B  28
PRO B  29
ASP B 264
GLY B 302
TYR B 303
None
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
1.10A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		10 / 11HIS B  28
PRO B  29
HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.28A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		10 / 11PRO B  29
ASP B  99
HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.60A93.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 11PRO A 676
HIS A 802
HIS A 803
ASP A 840
HIS A 842
ASP A 934
GLY A 974
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.40A29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 11PRO A 676
HIS A 802
HIS A 803
PHE A 812
ASP A 840
GLY A 974
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.6A)
0.62A29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 11PRO A 676
HIS A 803
HIS A 842
ASP A 934
GLY A 974
None
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
1.38A29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11HIS A  79
HIS A  81
ASP A 154
HIS A 195
GLY A 153
 FE  A 501 (-3.5A)
None
FE  A 501 (-3.1A)
None
None
1.41A22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		4irq BETA-1,4-GALACTOSYLT
RANSFERASE 7
(Homo
sapiens)		5 / 11HIS A 195
HIS A 257
ASP A 163
GLY A 202
TYR A 199
None
MN  A 401 ( 3.5A)
UDP  A 402 (-3.3A)
None
TRS  A 403 (-4.9A)
1.12A22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11ASP B 567
HIS B 610
HIS B 611
ASP B 649
HIS B 651
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
1.06A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 500
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 ( 4.4A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.23A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		10 / 11HIS B 500
PRO B 501
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.46A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.39A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.14A18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 11ASP A 101
HIS A 142
HIS A 143
PHE A 152
ASP A 178
GLY A 303
None
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
1.01A42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		9 / 11ASP A 101
HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.32A42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 11ASP A 101
HIS A 180
PHE A 152
ASP A 267
GLY A 304
None
ZN  A 401 ( 3.1A)
EDO  A 407 (-4.2A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
1.33A42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 11HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.97A42.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		6bf6 INSULIN-DEGRADING
ENZYME
(Homo
sapiens)		5 / 11HIS A 213
PRO A 214
HIS A  93
PHE A 288
GLY A 144
None
1.38A12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		1kcw CERULOPLASMIN
(Homo
sapiens)		5 / 12HIS A 978
HIS A 103
HIS A 101
GLY A 981
TYR A 107
 CU  A1052 ( 3.2A)
CU  A1051 (-3.3A)
CU  A1052 (-3.2A)
O  A1058 ( 4.9A)
None
1.22A16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		11 / 12PRO A 542
ASP A 626
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 ( 4.5A)
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.49A25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		7 / 12PRO A 542
ASP A 626
PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 ( 4.5A)
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.20A25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		5 / 12HIS A 285
GLY A 209
PHE A 211
ASP A 462
GLY A 483
None
None
None
TPQ  A 461 ( 3.9A)
TPQ  A 461 ( 4.4A)
1.01A19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 145
HIS A 146
GLY A 154
ASP A 181
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.5A)
0.82A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		12 / 12PRO A  34
ASP A 104
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
None
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.24A99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12ASP A  93
HIS A 134
HIS A 135
GLY A 143
ASP A 170
GLY A 295
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
0.93A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12ASP A  93
HIS A 172
PHE A 144
ASP A 264
GLY A 297
None
ZN  A 500 (-3.1A)
None
None
None
1.22A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.95A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		12 / 12PRO A  23
ASP A  93
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
None
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.33A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12PRO A  23
ASP A  93
PHE A 144
ASP A 259
GLY A 297
TYR A 298
None
None
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
1.21A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12PRO A  23
HIS A 135
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.07A62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12ASP B  99
GLY B 149
PHE B 150
ASP B 264
HIS B 178
PHE B 205
None
None
None
ZN  B 600 ( 2.5A)
ZN  B 600 (-3.3A)
None
1.28A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12ASP B 181
GLY B 180
ASP B 264
HIS B 178
GLY B 301
None
None
ZN  B 600 ( 2.5A)
ZN  B 600 (-3.3A)
ACT  B 601 (-3.4A)
1.20A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B 140
HIS B 141
GLY B 149
ASP B 176
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
0.89A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		9 / 12PRO B  29
ASP B  99
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
0.64A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		11 / 12PRO B  29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.28A93.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12PRO B  29
HIS B 140
HIS B 178
ASP B 264
GLY B 301
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
1.20A93.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		9 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.44A29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
PHE A 871
GLY A 974
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
KEE  A2033 (-3.6A)
0.61A29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4
(Homo
sapiens)		5 / 12HIS A 336
HIS A 193
GLY A 192
ASP A  34
GLY A  35
 ZN  A 506 ( 3.3A)
ZN  A 506 ( 3.3A)
None
ZN  A 505 (-2.1A)
ZN  A 505 ( 4.8A)
1.21A22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		7 / 12ASP B 567
HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
1.43A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
1.03A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		11 / 12PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.41A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.12A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12PRO B 607
HIS B 651
GLY B 619
ASP B 742
GLY B 780
None
ZN  B2502 (-3.2A)
TSN  B2501 ( 3.8A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
1.15A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5
(Homo
sapiens)		5 / 12HIS A 339
HIS A 195
GLY A 194
ASP A  36
GLY A  37
 ZN  A 502 (-3.2A)
ZN  A 502 (-3.2A)
None
ZN  A 501 (-2.0A)
ZN  A 501 ( 4.9A)
1.22A19.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		7 / 12ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
GLY A 303
None
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
0.96A42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		11 / 12ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
TYR A 306
None
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.33A42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.96A42.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 12HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.47A25.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.24A25.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		5 / 12HIS A 285
GLY A 209
PHE A 211
ASP A 462
GLY A 483
None
None
None
TPQ  A 461 ( 3.9A)
TPQ  A 461 ( 4.4A)
0.91A20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		6 / 12HIS A 145
HIS A 146
GLY A 154
ASP A 181
PHE A 210
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
1.05A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		10 / 12HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.34A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
None
1.02A39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		10 / 12HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.30A39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B 140
HIS B 141
GLY B 149
ASP B 176
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
0.94A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		10 / 12HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.37A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B 141
HIS B 178
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.8A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.95A33.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 12HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.36A28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 12HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
PHE A 871
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
KEE  A2033 (-3.6A)
0.68A28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1
(Homo
sapiens)		5 / 12HIS A 172
HIS A 119
GLY A 118
ASP A 195
GLY A 194
 FE  A1242 (-3.4A)
FE  A1242 (-3.4A)
None
FE  A1243 ( 2.4A)
None
1.32A22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		5 / 12HIS A 215
HIS A 210
GLY A 211
PHE A 217
GLY A 219
DGT  A 701 (-3.6A)
DGT  A 701 (-4.5A)
None
None
None
1.20A20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.35A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		10 / 12HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.42A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.97A20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
0.99A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		11 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
MET A 274
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.37A97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5zal ENDORIBONUCLEASE
DICER
(Homo
sapiens)		5 / 12TYR A1752
GLY A1809
PHE A1812
ASP A1709
GLY A1708
None
1.27A13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		1cm0 P300/CBP ASSOCIATING
FACTOR
(Homo
sapiens)		3 / 3PRO B 530
MET B 529
TYR B 533
None
0.95A16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		1z4r GENERAL CONTROL OF
AMINO ACID SYNTHESIS
PROTEIN 5-LIKE 2
(Homo
sapiens)		3 / 3PRO A 535
MET A 534
TYR A 538
None
1.08A14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		1zto POTASSIUM CHANNEL
PROTEIN RCK4
(Homo
sapiens)		3 / 3PRO A  18
MET A  17
TYR A  21
None
1.11A6.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2d8y EPLIN PROTEIN
(Homo
sapiens)		3 / 3PRO A  27
MET A  28
TYR A  26
None
1.09A11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2iwg 52 KDA RO PROTEIN
(Homo
sapiens)		3 / 3PRO B  46
MET B  47
TYR B  45
None
0.91A19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1
(Homo
sapiens)		3 / 3PRO A 151
MET A 150
TYR A 271
None
0.81A21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2p64 F-BOX/WD REPEAT
PROTEIN 1A
(Homo
sapiens)		3 / 3PRO A 174
MET A 175
TYR A 171
None
0.68A10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR
(Homo
sapiens)		3 / 3PRO A 235
MET A 108
TYR A 103
None
0.83A22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN
(Homo
sapiens)		3 / 3PRO B 221
MET B 233
TYR B 220
None
1.11A20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3l82 F-BOX ONLY PROTEIN 4
(Homo
sapiens)		3 / 3PRO B 340
MET B 339
TYR B 343
None
0.99A22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3tac LIPRIN-ALPHA-2
(Homo
sapiens)		3 / 3PRO B 914
MET B 913
TYR B 917
SO4  B   4 (-4.1A)
None
None
1.04A19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3tad LIPRIN-ALPHA-2
(Homo
sapiens)		3 / 3PRO A 914
MET A 913
TYR A 917
None
1.07A20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3
(Homo
sapiens)		3 / 3PRO C 626
MET C 625
TYR A2036
None
1.11A16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		4d4l 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3
(Homo
sapiens)		3 / 3PRO A 407
MET A 406
TYR A 352
None
1.00A22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		4nsq HISTONE
ACETYLTRANSFERASE
KAT2B
(Homo
sapiens)		3 / 3PRO A 530
MET A 529
TYR A 533
None
0.90A17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2
(Homo
sapiens)		3 / 3PRO A 151
MET A 150
TYR A 271
None
0.80A23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		5ajz 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3
(Homo
sapiens)		3 / 3PRO A 407
MET A 406
TYR A 352
None
1.01A21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		5kyu PROTEIN TRANSPORT
PROTEIN SEC24D
(Homo
sapiens)		3 / 3PRO B 837
MET B 840
TYR B 778
None
1.08A19.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		3 / 3PRO A 273
MET A 274
TYR A 306
EDO  A 407 ( 3.6A)
EDO  A 407 (-4.1A)
EDO  A 407 ( 3.3A)
0.48A97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		1cm0 P300/CBP ASSOCIATING
FACTOR
(Homo
sapiens)		3 / 3PRO B 530
MET B 529
TYR B 533
None
0.99A16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		1y97 THREE PRIME REPAIR
EXONUCLEASE 2
(Homo
sapiens)		3 / 3PRO A 125
MET A 225
TYR A 122
None
0.97A23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		1z4r GENERAL CONTROL OF
AMINO ACID SYNTHESIS
PROTEIN 5-LIKE 2
(Homo
sapiens)		3 / 3PRO A 535
MET A 534
TYR A 538
None
1.11A14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		1zto POTASSIUM CHANNEL
PROTEIN RCK4
(Homo
sapiens)		3 / 3PRO A  18
MET A  17
TYR A  21
None
1.10A6.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		2d8y EPLIN PROTEIN
(Homo
sapiens)		3 / 3PRO A  27
MET A  28
TYR A  26
None
1.10A11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		2iwg 52 KDA RO PROTEIN
(Homo
sapiens)		3 / 3PRO B  46
MET B  47
TYR B  45
None
0.91A19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1
(Homo
sapiens)		3 / 3PRO A 151
MET A 150
TYR A 271
None
0.79A21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		2p64 F-BOX/WD REPEAT
PROTEIN 1A
(Homo
sapiens)		3 / 3PRO A 174
MET A 175
TYR A 171
None
0.69A10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR
(Homo
sapiens)		3 / 3PRO A 235
MET A 108
TYR A 103
None
0.81A22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN
(Homo
sapiens)		3 / 3PRO B 221
MET B 233
TYR B 220
None
1.11A20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3l82 F-BOX ONLY PROTEIN 4
(Homo
sapiens)		3 / 3PRO B 340
MET B 339
TYR B 343
None
0.98A22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3tac LIPRIN-ALPHA-2
(Homo
sapiens)		3 / 3PRO B 914
MET B 913
TYR B 917
SO4  B   4 (-4.1A)
None
None
1.07A19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3tad LIPRIN-ALPHA-2
(Homo
sapiens)		3 / 3PRO A 914
MET A 913
TYR A 917
None
1.11A20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3
(Homo
sapiens)		3 / 3PRO C 626
MET C 625
TYR A2036
None
1.09A16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4d4l 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3
(Homo
sapiens)		3 / 3PRO A 407
MET A 406
TYR A 352
None
1.05A22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4nsq HISTONE
ACETYLTRANSFERASE
KAT2B
(Homo
sapiens)		3 / 3PRO A 530
MET A 529
TYR A 533
None
0.93A17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2
(Homo
sapiens)		3 / 3PRO A 151
MET A 150
TYR A 271
None
0.78A23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5ajz 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3
(Homo
sapiens)		3 / 3PRO A 407
MET A 406
TYR A 352
None
1.07A21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5kyu PROTEIN TRANSPORT
PROTEIN SEC24D
(Homo
sapiens)		3 / 3PRO B 837
MET B 840
TYR B 778
None
1.09A19.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		3 / 3PRO A 273
MET A 274
TYR A 306
EDO  A 407 ( 3.6A)
EDO  A 407 (-4.1A)
EDO  A 407 ( 3.3A)
0.45A97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		8 / 11HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.51A25.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 11PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.23A25.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11HIS A 145
HIS A 146
ASP A 181
ASP A 269
GLY A 267
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
1.32A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		9 / 11HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.28A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		6 / 11HIS A 145
HIS A 146
PHE A 155
ASP A 181
PHE A 210
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
1.07A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11HIS A 146
HIS A 183
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
1.02A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 11TYR A 157
HIS A 145
HIS A 183
ASP A 269
TYR A 308
None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
1.45A40.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		5 / 11HIS A  67
HIS A  62
ASP A  66
HIS A  64
GLY A  65
 ZN  A1363 (-3.4A)
ZN  A1364 (-3.5A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.2A)
None
1.34A21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A 134
HIS A 135
ASP A 170
ASP A 259
GLY A 257
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
1.40A39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A 134
HIS A 135
PHE A 144
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
1.10A39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		9 / 11HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.27A39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11HIS A 135
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
1.07A39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 11TYR A 146
HIS A 134
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.34A39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 11HIS B 140
HIS B 141
PHE B 150
ASP B 176
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
1.14A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		9 / 11HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.35A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 11HIS B 141
HIS B 178
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.8A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.95A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 11TYR B 152
HIS B 140
HIS B 178
ASP B 264
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
1.49A33.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 11HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.41A28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 11HIS A 802
HIS A 803
PHE A 812
ASP A 840
PHE A 871
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
KEE  A2033 (-3.6A)
0.69A28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
1.34A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		9 / 11HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.45A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.26A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 610
PHE B 620
HIS B 651
ASP B 742
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
1.19A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.98A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 11HIS B 651
PHE B 680
ASP B 742
GLY B 781
TYR B 782
 ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.27A20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 11HIS A 142
HIS A 143
ASP A 178
ASP A 267
GLY A 265
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 (-2.4A)
None
1.35A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 11HIS A 142
HIS A 143
PHE A 152
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
1.05A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		10 / 11HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
MET A 274
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.39A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 11HIS A 143
HIS A 180
ASP A 267
MET A 274
GLY A 304
TYR A 306
EDO  A 410 (-4.4A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.15A97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		6b73 SOLUBLE CYTOCHROME
B562, KAPPA-TYPE
OPIOID RECEPTOR
(Escherichia
coli;
Homo
sapiens)		5 / 11PHE A 283
HIS A 291
PHE A 235
MET A 142
GLY A 319
None
CVV  A2001 ( 4.5A)
None
CVV  A2001 (-3.6A)
CVV  A2001 (-3.7A)
1.36A13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM
(Homo
sapiens)		5 / 12TYR C 218
GLY C 169
ASP C  85
HIS C 241
GLY C 116
None
None
MN  C 501 ( 2.3A)
MN  C 501 (-3.1A)
None
1.21A20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 12HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.40A26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.14A26.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12GLY A 154
PHE A 155
PHE A 210
ASP A 181
GLY A 305
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.5A)
1.30A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		10 / 12HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.32A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		7 / 12HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
PHE A 210
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
1.05A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 146
HIS A 183
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
1.02A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12PHE A 155
PHE A 210
ASP A 269
GLY A 307
TYR A 308
LLX  A 400 (-4.1A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
None
LLX  A 400 (-4.4A)
1.29A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
None
1.07A40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		10 / 12HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.32A40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 135
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
1.08A40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		10 / 12HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.32A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		7 / 12HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
PHE B 205
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
None
ACT  B 601 ( 4.8A)
1.11A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B 141
HIS B 178
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.8A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.96A33.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		9 / 12HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.60A28.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		5 / 12HIS A 215
HIS A 210
GLY A 211
PHE A 217
GLY A 219
DGT  A 701 (-3.6A)
DGT  A 701 (-4.5A)
None
None
None
1.12A20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		5 / 12HIS A 215
HIS A 210
GLY A 211
PHE A 217
GLY A 219
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
None
None
DG3  A2001 ( 4.4A)
1.12A22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		10 / 12HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.40A20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.98A20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12PHE B 620
HIS B 651
PHE B 680
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.7A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.19A20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5ue2 MATRILYSIN
(Homo
sapiens)		5 / 12HIS A 158
HIS A 171
GLY A 137
ASP A 145
GLY A 141
 ZN  A 303 (-3.3A)
ZN  A 303 (-3.5A)
None
ZN  A 303 (-2.7A)
None
1.32A20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
1.03A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		11 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
MET A 274
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.32A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 143
HIS A 180
ASP A 267
MET A 274
GLY A 304
TYR A 306
EDO  A 410 (-4.4A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.14A97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		1cm0 P300/CBP ASSOCIATING
FACTOR
(Homo
sapiens)		3 / 3PRO B 530
MET B 529
TYR B 533
None
1.03A16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		1y97 THREE PRIME REPAIR
EXONUCLEASE 2
(Homo
sapiens)		3 / 3PRO A 125
MET A 225
TYR A 122
None
1.01A23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2iwg 52 KDA RO PROTEIN
(Homo
sapiens)		3 / 3PRO B  46
MET B  47
TYR B  45
None
0.82A19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1
(Homo
sapiens)		3 / 3PRO A 151
MET A 150
TYR A 271
None
0.89A21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2p64 F-BOX/WD REPEAT
PROTEIN 1A
(Homo
sapiens)		3 / 3PRO A 174
MET A 175
TYR A 171
None
0.73A10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		2pg6 CYTOCHROME P450 2A6
(Homo
sapiens)		3 / 3PRO A 393
MET A 394
TYR A 392
None
1.03A22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR
(Homo
sapiens)		3 / 3PRO A 235
MET A 108
TYR A 103
None
0.91A22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3l82 F-BOX ONLY PROTEIN 4
(Homo
sapiens)		3 / 3PRO B 340
MET B 339
TYR B 343
None
1.00A22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE
(Homo
sapiens)		3 / 3PRO A  87
MET A  89
TYR A  86
None
0.77A21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		4k5y CORTICOTROPIN-RELEAS
ING FACTOR RECEPTOR
1, T4-LYSOZYME
CHIMERIC CONSTRUCT
(Escherichia
virus
T4;
Homo
sapiens)		3 / 3PRO A 275
MET A 276
TYR A 272
None
0.84A23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		4nsq HISTONE
ACETYLTRANSFERASE
KAT2B
(Homo
sapiens)		3 / 3PRO A 530
MET A 529
TYR A 533
None
0.99A18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi)		3 / 3PRO A 220
MET A 222
TYR A 219
None
0.96A20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2
(Homo
sapiens)		3 / 3PRO A 151
MET A 150
TYR A 271
None
0.87A23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		3 / 3PRO A 273
MET A 274
TYR A 306
EDO  A 407 ( 3.6A)
EDO  A 407 (-4.1A)
EDO  A 407 ( 3.3A)
0.46A97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 12HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
0.37A26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12HIS A 669
HIS A 670
HIS A 709
ASP A 801
GLY A 799
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
1.20A26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		5 / 12PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
1.12A26.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12GLY A 154
PHE A 155
PHE A 210
ASP A 181
GLY A 305
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.5A)
1.27A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		10 / 12HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.29A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		7 / 12HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
PHE A 210
GLY A 305
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
1.05A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 146
HIS A 183
ASP A 269
GLY A 306
TYR A 308
LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
1.01A40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
GLY A 257
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
1.33A40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
GLY A 295
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
None
1.08A40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		10 / 12HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.30A40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 135
HIS A 172
ASP A 259
GLY A 296
TYR A 298
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
1.08A40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		10 / 12HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.31A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		7 / 12HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
PHE B 205
GLY B 300
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
None
ACT  B 601 ( 4.8A)
1.11A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B 141
HIS B 178
ASP B 264
GLY B 301
TYR B 303
ACT  B 601 (-3.8A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.95A33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12PHE B 150
HIS B 178
ASP B 264
GLY B 302
TYR B 303
None
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
1.22A33.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		9 / 12HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
0.58A28.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 12HIS A 802
HIS A 803
HIS A 842
ASP A 934
GLY A 932
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.24A28.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		5 / 12HIS A 215
HIS A 210
GLY A 211
PHE A 217
GLY A 219
DGT  A 701 (-3.6A)
DGT  A 701 (-4.5A)
None
None
None
1.13A20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		10 / 12HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.37A20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.24A20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
0.98A20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12PHE B 620
HIS B 651
PHE B 680
ASP B 742
GLY B 781
TYR B 782
TSN  B2501 (-3.7A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
1.18A20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
GLY A 265
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
None
1.31A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
GLY A 303
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
1.04A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		11 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
MET A 274
GLY A 304
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
0.34A97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12HIS A 143
HIS A 180
ASP A 267
MET A 274
GLY A 304
TYR A 306
EDO  A 410 (-4.4A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.15A97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)		5 / 12HIS A 383
GLU A 384
HIS A 387
GLU A 411
TYR A 523
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-3.4A)
0.74A24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)		5 / 12HIS A 361
GLU A 362
HIS A 365
GLU A 389
TYR A 501
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.5A)
0.66A21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1
(Homo
sapiens)		7 / 12HIS A 353
GLU A 354
HIS A 357
TRP A 369
PHE A 433
GLU A 376
TYR A 438
 ZN  A1946 ( 3.3A)
BES  A1950 (-3.3A)
BES  A1950 ( 3.3A)
None
BES  A1950 ( 4.3A)
ZN  A1946 ( 2.1A)
BES  A1950 (-4.3A)
1.31A21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		3apm PROTEIN-ARGININE
DEIMINASE TYPE-4
(Homo
sapiens)		5 / 12GLN A 215
ALA A 216
HIS A 236
PHE A 249
LEU A 182
None
1.36A21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		3hf8 TRYPTOPHAN
5-HYDROXYLASE 1
(Homo
sapiens)		5 / 12TYR A 235
HIS A 272
GLU A 273
HIS A 277
GLU A 317
ML0  A 401 (-3.9A)
FE  A 400 ( 3.3A)
FE  A 400 ( 4.6A)
FE  A 400 (-3.2A)
FE  A 400 ( 1.9A)
1.27A18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens)		12 / 12GLN A1136
ALA A1137
TYR A1267
HIS A1295
GLU A1296
HIS A1299
TRP A1311
PHE A1314
GLU A1318
LEU A1369
TYR A1378
TYR A1383
28P  A7001 (-3.7A)
28P  A7001 ( 3.8A)
28P  A7001 (-3.6A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
28P  A7001 (-4.8A)
28P  A7001 (-3.5A)
ZN  A2001 ( 2.2A)
28P  A7001 ( 4.9A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
0.35A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens)		5 / 12TYR A1267
GLU A1271
GLU A1318
TYR A1378
TYR A1383
28P  A7001 (-3.6A)
28P  A7001 (-3.6A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
1.33A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		4fys AMINOPEPTIDASE N
(Homo
sapiens)		8 / 12GLN A 213
ALA A 214
HIS A 388
GLU A 389
HIS A 392
TRP A 404
GLU A 411
TYR A 477
None
0.46A21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		4fys AMINOPEPTIDASE N
(Homo
sapiens)		7 / 12GLN A 213
GLU A 389
HIS A 392
TRP A 404
PHE A 472
GLU A 411
TYR A 477
None
1.28A21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		4kxb GLUTAMYL
AMINOPEPTIDASE
(Homo
sapiens)		5 / 12GLU A 394
HIS A 397
TRP A 409
PHE A 474
GLU A 416
BES  A1017 (-3.1A)
ZN  A1001 ( 3.2A)
None
BES  A1017 (-3.7A)
ZN  A1001 ( 2.4A)
1.41A22.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		4kxb GLUTAMYL
AMINOPEPTIDASE
(Homo
sapiens)		6 / 12HIS A 393
GLU A 394
HIS A 397
TRP A 409
GLU A 416
TYR A 479
 ZN  A1001 ( 3.3A)
BES  A1017 (-3.1A)
ZN  A1001 ( 3.2A)
None
ZN  A1001 ( 2.4A)
BES  A1017 (-4.2A)
0.41A22.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens)		6 / 12HIS A 464
GLU A 465
HIS A 468
TRP A 480
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
None
ZN  A1101 ( 1.9A)
None
0.79A24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		4um8 INTEGRIN ALPHA-V
(Homo
sapiens)		5 / 12ALA A  96
TYR A 406
PHE A 159
LEU A 111
TYR A 224
None
1.36A22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens)		5 / 12ALA A 355
HIS A 318
GLU A 319
HIS A 323
GLU A 363
None
FE  A1491 ( 3.5A)
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
FE  A1491 ( 2.0A)
0.91A18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2
(Homo
sapiens)		6 / 12HIS A 370
GLU A 371
HIS A 374
TRP A 386
GLU A 393
TYR A 455
 ZN  A1001 ( 3.2A)
6GA  A1015 (-3.0A)
ZN  A1001 ( 3.2A)
None
ZN  A1001 ( 1.7A)
6GA  A1015 (-4.0A)
0.56A22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2
(Homo
sapiens)		6 / 12HIS A 370
GLU A 371
HIS A 374
TRP A 386
PHE A 450
TYR A 455
 ZN  A1001 ( 3.2A)
6GA  A1015 (-3.0A)
ZN  A1001 ( 3.2A)
None
6GA  A1015 (-3.7A)
6GA  A1015 (-4.0A)
1.31A22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)
(Homo
sapiens)		5 / 12PRO A  89
HIS A 303
GLY A 402
ASP A 254
LEU A 163
None
1.35A21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		10 / 12PRO A 542
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
LEU A 810
TSN  A 301 ( 4.5A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 (-4.2A)
0.56A41.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		3lpp SUCRASE-ISOMALTASE
(Homo
sapiens)		5 / 12PRO A 683
HIS A 213
HIS A 218
PHE A 216
LEU A 591
None
1.09A16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 146
HIS A 183
ASP A 269
LEU A 276
TYR A 308
LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
1.05A28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		11 / 12PRO A  34
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
0.50A28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12SER A 153
HIS A 145
HIS A 183
ASP A 269
TYR A 308
None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
1.08A28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		11 / 12PRO A  23
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
0.44A26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12PRO A  23
HIS A 135
HIS A 172
ASP A 259
LEU A 266
TYR A 298
None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
1.09A26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12SER A 142
HIS A 134
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.06A26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		11 / 12PRO B  29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
0.45A25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12PRO B  29
HIS B 140
HIS B 178
ASP B 264
LEU B 271
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
1.16A25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12SER B 148
HIS B 140
HIS B 178
ASP B 264
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
1.19A25.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		9 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
LEU A 943
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
None
0.58A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
PHE A 812
PHE A 871
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
KEE  A2033 (-3.8A)
0.63A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 12PRO A 676
HIS A 803
HIS A 842
ASP A 934
LEU A 943
None
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.28A43.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12PRO B 501
HIS B 610
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
1.18A29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		12 / 12PRO B 501
SER B 568
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.34A29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		9 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
0.26A29.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12SER A 150
HIS A 142
HIS A 180
ASP A 267
TYR A 306
EDO  A 410 (-1.9A)
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
1.26A29.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		5viy BG1 FAB HEAVY CHAIN
BG1 FAB LIGHT CHAIN
(Homo
sapiens)		5 / 12SER H 181
HIS H 184
GLY H 182
ASP G 167
ASP G 170
None
1.42A21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8
(Homo
sapiens)		5 / 12HIS E 888
GLY E 713
ASP E 854
ASP E 853
LEU E 723
None
None
ATP  E2004 ( 4.6A)
MG  E2002 ( 4.5A)
None
1.28A12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)
(Homo
sapiens)		5 / 12PRO A  89
HIS A 303
GLY A 402
ASP A 254
LEU A 163
None
1.32A21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		10 / 12PRO A 542
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
LEU A 810
TSN  A 301 ( 4.5A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 (-4.2A)
0.56A41.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		3lpp SUCRASE-ISOMALTASE
(Homo
sapiens)		5 / 12PRO A 683
HIS A 213
HIS A 218
PHE A 216
LEU A 591
None
1.10A16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A 146
HIS A 183
ASP A 269
LEU A 276
TYR A 308
LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
1.04A28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		11 / 12PRO A  34
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308
None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
0.48A28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12SER A 153
HIS A 145
HIS A 183
ASP A 269
TYR A 308
None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
1.06A28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		11 / 12PRO A  23
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
0.43A26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12PRO A  23
HIS A 135
HIS A 172
ASP A 259
LEU A 266
TYR A 298
None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
1.09A26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12SER A 142
HIS A 134
HIS A 172
ASP A 259
TYR A 298
None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.05A26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		11 / 12PRO B  29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
0.44A25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12PRO B  29
HIS B 140
HIS B 178
ASP B 264
LEU B 271
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
1.15A25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12SER B 148
HIS B 140
HIS B 178
ASP B 264
TYR B 303
None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
1.17A25.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		9 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
LEU A 943
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
None
0.60A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 12PRO A 676
HIS A 802
HIS A 803
GLY A 811
PHE A 812
PHE A 871
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
KEE  A2033 (-3.8A)
0.64A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 12PRO A 676
HIS A 803
HIS A 842
ASP A 934
LEU A 943
None
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.30A43.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12PRO B 501
HIS B 610
HIS B 651
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
1.18A29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		12 / 12PRO B 501
SER B 568
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
0.35A29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		9 / 12HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
TYR A 306
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
0.26A29.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12SER A 150
HIS A 142
HIS A 180
ASP A 267
TYR A 306
EDO  A 410 (-1.9A)
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
1.25A29.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		5viy BG1 FAB HEAVY CHAIN
BG1 FAB LIGHT CHAIN
(Homo
sapiens)		5 / 12SER H 181
HIS H 184
GLY H 182
ASP G 167
ASP G 170
None
1.43A21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8
(Homo
sapiens)		5 / 12HIS E 888
GLY E 713
ASP E 854
ASP E 853
LEU E 723
None
None
ATP  E2004 ( 4.6A)
MG  E2002 ( 4.5A)
None
1.29A12.54