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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		1orf GRANZYME A
(Homo
sapiens)		5 / 12PRO A 175
SER A 214
PHE A 215
GLY A 224
TYR A 172
0G6  A   1 ( 4.9A)
None
0G6  A   1 (-4.8A)
None
None
1.30A19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		6 / 12HIS 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
1.18A41.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		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
1.19A41.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 12PRO A 542
HIS 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 ( 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 ( 3.9A)
0.33A41.84
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A  33
HIS A 183
ASP A 269
GLY A 307
TYR A 308
None
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
None
LLX  A 400 (-4.4A)
1.24A28.07
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		11 / 12HIS A  33
PRO A  34
HIS 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
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)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
0.47A28.07
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		6 / 12HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
GLY A 267
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)
None
1.26A28.07
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS 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)
0.91A28.07
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		6 / 12SER A 153
HIS A 145
HIS A 183
ASP A 269
GLY A 306
TYR A 308
None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		6 / 12SER A 153
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
None
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)
1.42A28.07
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		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
1.32A19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12HIS A  22
PHE A 144
HIS A 172
ASP A 259
GLY A 297
TYR A 298
None
None
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
1.30A26.04
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		11 / 12HIS A  22
PRO A  23
HIS 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
None
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)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
0.52A26.04
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12HIS A 134
ASP A 170
HIS A 172
ASP A 259
GLY A 257
ACT  A 501 (-4.0A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
1.25A26.04
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12SER A 142
HIS A 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
None
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)
1.01A26.04
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		6 / 12SER A 142
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
None
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
1.37A26.04
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12HIS B  28
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)
1.25A25.15
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		11 / 12HIS B  28
PRO B  29
HIS 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
None
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)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
0.48A25.15
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		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)
1.14A25.15
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12SER B 148
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)
1.15A25.15
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		6 / 12SER B 148
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
None
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
1.34A25.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 12HIS A 802
ASP A 840
HIS A 842
ASP A 934
GLY A 932
KEE  A2033 (-3.8A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
1.24A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 12PRO A 676
HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
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)
KEE  A2033 (-3.6A)
0.39A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		7 / 12PRO A 676
HIS A 802
HIS A 803
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)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
KEE  A2033 (-3.6A)
0.65A43.69
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens)		5 / 12SER A 273
HIS A 334
ASP A 496
HIS A 524
GLY A 523
None
None
None
II6  A1552 (-3.6A)
None
1.31A21.98
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12HIS 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)
1.18A29.34
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		12 / 12HIS B 500
PRO B 501
SER B 568
HIS 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 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
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)
0.25A29.34
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		6 / 12HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
GLY B 740
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
1.20A29.34
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		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)
1.05A29.34
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12SER B 568
PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
1.21A29.34
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5knm BETA-2-MICROGLOBULIN
CDNA FLJ39643 FIS,
CLONE SMINT2004023,
HIGHLY SIMILAR TO
HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHACHAIN
F
(Homo
sapiens)		5 / 12SER B  20
HIS B  13
PHE B  22
ASP A 238
GLY A 237
None
1.26A18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		5 / 12HIS A 142
ASP A 178
HIS A 180
ASP A 267
GLY A 265
None
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
None
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		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
0.99A29.77
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		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)
0.34A29.77
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		6 / 12SER A 150
HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
EDO  A 410 (-1.9A)
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
1.19A29.77
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		1ux6 THROMBOSPONDIN-1
(Homo
sapiens)		5 / 12ASP A 938
PHE A 942
ASP A 983
LEU A1130
TYR A1147
None
1.50A20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)		9 / 12PRO 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)
0.47A41.84
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12HIS A  33
PRO A  34
ASP A 274
LEU A 276
TYR A 308
None
None
None
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
1.40A28.07
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		11 / 12HIS A  33
PRO 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
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)
0.48A28.07
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.
5EEN_B_5OGB804_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)
1.04A28.07
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 12SER A 153
HIS A 183
PHE A 210
ASP A 269
TYR A 308
None
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
1.47A28.07
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		11 / 12HIS A  22
PRO 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
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)
0.52A26.04
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.
5EEN_B_5OGB804_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)
1.18A26.04
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.
5EEN_B_5OGB804_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)
1.02A26.04
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)		5 / 12SER A 142
HIS A 172
PHE A 200
ASP A 259
TYR A 298
None
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
1.42A26.04
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		11 / 12HIS B  28
PRO 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
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)
0.50A25.15
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.
5EEN_B_5OGB804_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)
1.11A25.15
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.
5EEN_B_5OGB804_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)
1.15A25.15
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)		5 / 12SER B 148
HIS B 178
PHE B 205
ASP B 264
TYR B 303
None
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
1.39A25.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		8 / 12PRO 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
0.58A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		6 / 12PRO A 676
HIS A 802
HIS A 803
PHE A 812
PHE A 871
LEU A 943
None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
KEE  A2033 (-3.8A)
None
0.84A43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_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
1.32A43.69
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens)		5 / 12PRO A 216
HIS A  47
HIS A 114
ASP A 110
TYR A 214
None
ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
ZN  A 701 (-2.5A)
None
1.47A20.70
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		12 / 12HIS B 500
PRO B 501
SER B 568
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 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
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)
0.28A29.34
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.
5EEN_B_5OGB804_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)
1.09A29.34
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA
(Escherichia
coli;
Homo
sapiens)		5 / 12SER B 568
PHE B 680
ASP B 742
PHE B 620
ASP B 649
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
1.21A29.34
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		5vi6 HISTONE DEACETYLASE
8
(Homo
sapiens)		8 / 12HIS 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)
0.31A29.77
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.
5EEN_B_5OGB804_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)
1.22A29.77