SIMILAR PATTERNS OF AMINO ACIDS FOR 5EEN_A_5OGA804_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score 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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		11 HIS A  21
PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
 None
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 0.60A 5eenA-1c3rA:
41.2		 5eenA-1c3rA:
27.85
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		6 HIS A  21
PRO A  22
HIS A 170
ASP A 258
GLY A 296
TYR A 297
 None
TSN  A 502 (-4.4A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
None
TSN  A 502 (-4.3A)
 1.12A 5eenA-1c3rA:
41.2		 5eenA-1c3rA:
27.85
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 HIS A 131
ASP A 168
HIS A 170
ASP A 258
GLY A 256
 TSN  A 502 (-4.0A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
None
 1.26A 5eenA-1c3rA:
41.2		 5eenA-1c3rA:
27.85
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 HIS A 131
HIS A 170
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.0A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 1.07A 5eenA-1c3rA:
41.2		 5eenA-1c3rA:
27.85
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 SER A 280
HIS A 255
HIS A 252
ASP A 169
GLY A 270
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
None
 1.21A 5eenA-1kq3A:
undetectable		 5eenA-1kq3A:
20.79
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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		5 PRO 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
 1.30A 5eenA-1orfA:
undetectable		 5eenA-1orfA:
19.73
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
ASP A 214
HIS A 293
TYR A 204
 None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
None
 1.15A 5eenA-1qwyA:
undetectable		 5eenA-1qwyA:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		10 HIS A  36
HIS A 142
HIS A 143
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
GLY A 310
TYR A 312
 None
3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.8A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 0.50A 5eenA-1zz3A:
50.3		 5eenA-1zz3A:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 HIS A  36
HIS A 143
HIS A 182
ASP A 268
TYR A 312
 None
3YP  A1452 (-3.4A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 (-4.6A)
 1.16A 5eenA-1zz3A:
50.3		 5eenA-1zz3A:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		6 HIS A  36
HIS A 182
PHE A 208
ASP A 268
GLY A 311
TYR A 312
 None
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
None
3YP  A1452 (-4.6A)
 1.33A 5eenA-1zz3A:
50.3		 5eenA-1zz3A:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
ASP A 180
HIS A 182
ASP A 268
GLY A 266
 3YP  A1452 (-3.3A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
None
 1.33A 5eenA-1zz3A:
50.3		 5eenA-1zz3A:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 182
ASP A 268
GLY A 310
TYR A 312
 3YP  A1452 (-3.3A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 1.06A 5eenA-1zz3A:
50.3		 5eenA-1zz3A:
33.42
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.
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus) 		PF03372
(Exo_endo_phos) 		5 HIS A 165
ASP A 218
HIS A 248
ASP A 146
GLY A 217
 OCS  A 167 ( 4.1A)
None
None
None
None
 1.19A 5eenA-2voaA:
undetectable		 5eenA-2voaA:
19.89
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 SER A 201
HIS A 160
HIS A 110
ASP A 316
GLY A 291
 None
EDO  A 494 ( 3.9A)
EDO  A 494 (-4.0A)
MG  A 485 ( 1.8A)
MG  A 485 ( 4.2A)
 1.10A 5eenA-3b9tA:
undetectable		 5eenA-3b9tA:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS 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
 1.18A 5eenA-3c10A:
56.8		 5eenA-3c10A:
41.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PHE 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
 1.19A 5eenA-3c10A:
56.8		 5eenA-3c10A:
41.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 PRO 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)
 0.33A 5eenA-3c10A:
56.8		 5eenA-3c10A:
41.84
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.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 5 SER A 220
HIS A 278
HIS A 247
ASP A 195
HIS A 280
 None
None
None
ZN  A 335 (-2.1A)
ZN  A 335 (-3.1A)
 1.15A 5eenA-3csqA:
undetectable		 5eenA-3csqA:
20.73
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 PRO A 295
SER A 144
HIS A 322
PHE A 325
ASP A 300
 None
 1.15A 5eenA-3eb0A:
undetectable		 5eenA-3eb0A:
21.79
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 PRO A 190
SER A1099
HIS A1092
ASP A 222
GLY A 579
 MD1  A1245 (-4.5A)
MD1  A1245 (-2.7A)
MGD  A1246 ( 3.7A)
6MO  A1247 (-2.1A)
MGD  A1246 (-3.5A)
 1.32A 5eenA-3egwA:
3.5		 5eenA-3egwA:
15.00
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.
3gs6 BETA-HEXOSAMINIDASE

(Vibrio cholerae) 		PF00933
(Glyco_hydro_3) 		5 PRO A 177
SER A 219
ASP A 119
HIS A 161
GLY A 166
 None
None
None
NP6  A 341 (-3.6A)
None
 1.28A 5eenA-3gs6A:
undetectable		 5eenA-3gs6A:
19.95
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.
3l9x GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFC,
LINKER, ANCILLARY
PROTEIN KEFF

(Escherichia
coli) 		PF02254
(TrkA_N)
PF02525
(Flavodoxin_2) 		5 HIS A1063
PRO A1064
SER A1069
HIS A1112
GLY A1107
 None
FMN  A2400 (-4.5A)
None
None
FMN  A2400 (-3.8A)
 1.18A 5eenA-3l9xA:
4.0		 5eenA-3l9xA:
23.54
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS 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)
 1.24A 5eenA-3maxA:
43.7		 5eenA-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		11 HIS 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)
 0.47A 5eenA-3maxA:
43.7		 5eenA-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS 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
 1.26A 5eenA-3maxA:
43.7		 5eenA-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS 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)
 0.91A 5eenA-3maxA:
43.7		 5eenA-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 SER 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)
 1.06A 5eenA-3maxA:
43.7		 5eenA-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 SER 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)
 1.42A 5eenA-3maxA:
43.7		 5eenA-3maxA:
28.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
 IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
 1.10A 5eenA-3menA:
40.2		 5eenA-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		9 SER A 115
HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 0.38A 5eenA-3menA:
40.2		 5eenA-3menA:
31.35
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 158
ASP A 195
HIS A 197
ASP A 284
GLY A 282
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
None
 1.28A 5eenA-3q9cA:
41.2		 5eenA-3q9cA:
27.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		7 HIS A 158
ASP A 195
HIS A 197
PHE A 225
ASP A 284
GLY A 321
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
Q9C  A 401 (-3.6A)
None
 0.32A 5eenA-3q9cA:
41.2		 5eenA-3q9cA:
27.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 158
HIS A 197
ASP A 284
GLY A 322
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
None
None
 1.27A 5eenA-3q9cA:
41.2		 5eenA-3q9cA:
27.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 HIS A  56
HIS A  58
ASP A 145
PHE A  61
GLY A 144
 FE  A 443 (-3.6A)
None
FE  A 443 (-3.2A)
None
None
 1.13A 5eenA-3r2uA:
undetectable		 5eenA-3r2uA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		5 HIS A  78
PHE A  79
HIS A 221
GLY A 323
TYR A 226
 None
None
ZN  A 355 (-3.3A)
None
None
 1.32A 5eenA-3rpdA:
undetectable		 5eenA-3rpdA:
20.65
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.29A 5eenA-3rysA:
undetectable		 5eenA-3rysA:
21.98
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A  75
HIS A  80
HIS A 398
ASP A 204
GLY A 171
 ZN  A 600 (-4.8A)
ZN  A 600 (-3.6A)
ZN  A 600 (-3.6A)
None
None
 1.29A 5eenA-3t3oA:
undetectable		 5eenA-3t3oA:
21.25
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 HIS 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
 1.32A 5eenA-3zwfA:
undetectable		 5eenA-3zwfA:
19.95
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS 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)
 1.30A 5eenA-4a69A:
43.0		 5eenA-4a69A:
26.04
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		11 HIS 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)
 0.52A 5eenA-4a69A:
43.0		 5eenA-4a69A:
26.04
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS 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
 1.25A 5eenA-4a69A:
43.0		 5eenA-4a69A:
26.04
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 SER 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)
 1.01A 5eenA-4a69A:
43.0		 5eenA-4a69A:
26.04
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 SER 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)
 1.37A 5eenA-4a69A:
43.0		 5eenA-4a69A:
26.04
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS 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)
 1.25A 5eenA-4bkxB:
43.2		 5eenA-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		11 HIS 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)
 0.48A 5eenA-4bkxB:
43.2		 5eenA-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 PRO 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)
 1.14A 5eenA-4bkxB:
43.2		 5eenA-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 SER 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)
 1.15A 5eenA-4bkxB:
43.2		 5eenA-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 SER 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)
 1.34A 5eenA-4bkxB:
43.2		 5eenA-4bkxB:
25.15
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.
4bwy P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		5 SER A  88
HIS A 158
HIS A  62
ASP A  65
GLY A  64
 None
 1.27A 5eenA-4bwyA:
undetectable		 5eenA-4bwyA:
22.34
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 141
ASP A 186
HIS A 188
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
 1.20A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		9 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.33A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.10A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		6 SER A 149
HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.09A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		6 SER A 149
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 GOL  A 800 (-3.7A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.38A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS 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
 1.24A 5eenA-4cbyA:
55.5		 5eenA-4cbyA:
43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 PRO 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)
 0.39A 5eenA-4cbyA:
55.5		 5eenA-4cbyA:
43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 PRO 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)
 0.65A 5eenA-4cbyA:
55.5		 5eenA-4cbyA:
43.69
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.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		5 PRO A 180
SER A 225
ASP A 122
HIS A 164
GLY A 169
 None
None
None
NDG  A 401 ( 3.6A)
None
 1.28A 5eenA-4gvfA:
undetectable		 5eenA-4gvfA:
22.93
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.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A 245
HIS A  84
PHE A  85
ASP A  80
GLY A  81
 None
 1.28A 5eenA-4le5A:
undetectable		 5eenA-4le5A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 HIS A 360
HIS A 329
ASP A 283
HIS A 362
TYR A 270
 None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
None
 1.10A 5eenA-4qpbA:
undetectable		 5eenA-4qpbA:
18.79
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 SER A 306
HIS A 360
HIS A 329
ASP A 283
HIS A 362
 None
None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
 1.33A 5eenA-4qpbA:
undetectable		 5eenA-4qpbA:
18.79
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.
4yr1 ALKALINE PHOSPHATASE

(Escherichia
coli) 		PF00245
(Alk_phosphatase) 		5 SER A 409
HIS A 412
ASP A 369
ASP A  51
GLY A  52
 None
ZN  A 502 ( 3.3A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.9A)
 0.98A 5eenA-4yr1A:
undetectable		 5eenA-4yr1A:
24.10
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 SER A 273
HIS A 334
ASP A 496
HIS A 524
GLY A 523
 None
None
None
II6  A1552 (-3.6A)
None
 1.31A 5eenA-5allA:
undetectable		 5eenA-5allA:
21.98
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 HIS 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)
 1.18A 5eenA-5eduB:
63.5		 5eenA-5eduB:
29.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 12 HIS 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)
 0.25A 5eenA-5eduB:
63.5		 5eenA-5eduB:
29.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 HIS 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
 1.20A 5eenA-5eduB:
63.5		 5eenA-5eduB:
29.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 PRO 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)
 1.05A 5eenA-5eduB:
63.5		 5eenA-5eduB:
29.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 SER 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)
 1.21A 5eenA-5eduB:
63.5		 5eenA-5eduB:
29.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		11 HIS A  82
PRO A  83
SER A 150
HIS A 192
HIS A 193
PHE A 202
ASP A 230
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 None
None
TSN  A2002 (-3.6A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 0.49A 5eenA-5eefA:
61.0		 5eenA-5eefA:
47.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A  82
SER A 150
HIS A 232
ASP A 323
GLY A 362
TYR A 363
 None
TSN  A2002 (-3.6A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 (-4.3A)
 1.27A 5eenA-5eefA:
61.0		 5eenA-5eefA:
47.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 192
HIS A 193
ASP A 230
HIS A 232
ASP A 323
GLY A 321
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
 1.17A 5eenA-5eefA:
61.0		 5eenA-5eefA:
47.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 PRO A  83
HIS A 192
HIS A 232
ASP A 323
TYR A 363
 None
TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 0.99A 5eenA-5eefA:
61.0		 5eenA-5eefA:
47.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 6 HIS B 463
HIS B 614
PHE B 643
ASP B 705
GLY B 744
TYR B 745
 None
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
None
 1.27A 5eenA-5efnB:
68.2		 5eenA-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 10 HIS B 463
PRO B 464
HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
TYR B 745
 None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 0.23A 5eenA-5efnB:
68.2		 5eenA-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 HIS B 573
ASP B 612
HIS B 614
ASP B 705
GLY B 703
 None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
 1.19A 5eenA-5efnB:
68.2		 5eenA-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 6 PRO B 464
HIS B 573
HIS B 614
ASP B 705
GLY B 743
TYR B 745
 None
None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 1.11A 5eenA-5efnB:
68.2		 5eenA-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 8 SER B 531
HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
 None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
 0.59A 5eenA-5efnB:
68.2		 5eenA-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 SER B 531
PHE B 643
ASP B 705
PHE B 583
ASP B 612
 None
None
ZN  B 801 (-2.6A)
None
ZN  B 801 ( 2.1A)
 1.17A 5eenA-5efnB:
68.2		 5eenA-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		12 HIS A 463
PRO A 464
SER A 531
HIS A 573
HIS A 574
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
TYR A 745
 None
None
E1Z  A1801 ( 3.3A)
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 0.12A 5eenA-5g0hA:
67.6		 5eenA-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		7 HIS A 463
SER A 531
HIS A 614
PHE A 643
ASP A 705
GLY A 744
TYR A 745
 None
E1Z  A1801 ( 3.3A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 1.15A 5eenA-5g0hA:
67.6		 5eenA-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 573
HIS A 574
ASP A 612
HIS A 614
ASP A 705
GLY A 703
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
 1.21A 5eenA-5g0hA:
67.6		 5eenA-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 PRO A 464
HIS A 574
HIS A 614
ASP A 705
TYR A 745
 None
E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
E1Z  A1801 (-4.4A)
 1.05A 5eenA-5g0hA:
67.6		 5eenA-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 SER A 531
PHE A 643
ASP A 705
PHE A 583
ASP A 612
 E1Z  A1801 ( 3.3A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
 1.22A 5eenA-5g0hA:
67.6		 5eenA-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		10 HIS A  39
HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 None
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.37A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		6 HIS A  39
HIS A 183
PHE A 209
ASP A 269
GLY A 312
TYR A 313
 None
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.31A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.25A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 143
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.06A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A 323
HIS A 152
PHE A 245
ASP A 174
ASP A  86
 A  C   2 ( 4.4A)
None
A  C   2 ( 4.2A)
A  C   2 ( 4.1A)
A  C   2 ( 3.5A)
 1.27A 5eenA-5habA:
undetectable		 5eenA-5habA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		10 HIS A  20
PRO A  21
HIS A 125
HIS A 126
PHE A 135
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
None
None
EDO  A 403 (-4.2A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 0.22A 5eenA-5ji5A:
45.6		 5eenA-5ji5A:
32.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		6 HIS A  20
PRO A  21
HIS A 165
ASP A 244
GLY A 287
TYR A 288
 None
None
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
None
 1.12A 5eenA-5ji5A:
45.6		 5eenA-5ji5A:
32.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		6 HIS A 125
HIS A 126
ASP A 163
HIS A 165
ASP A 244
GLY A 242
 None
EDO  A 403 (-4.2A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
 1.27A 5eenA-5ji5A:
45.6		 5eenA-5ji5A:
32.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 125
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 1.12A 5eenA-5ji5A:
45.6		 5eenA-5ji5A:
32.61
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.
5knm BETA-2-MICROGLOBULIN
CDNA FLJ39643 FIS,
CLONE SMINT2004023,
HIGHLY SIMILAR TO
HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHACHAIN
F

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 SER B  20
HIS B  13
PHE B  22
ASP A 238
GLY A 237
 None
 1.26A 5eenA-5knmB:
undetectable		 5eenA-5knmB:
18.56
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 136
HIS A 137
ASP A 174
HIS A 176
ASP A 267
GLY A 265
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.21A 5eenA-5td7A:
60.5		 5eenA-5td7A:
25.30
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		7 HIS A 136
HIS A 137
PHE A 146
ASP A 174
HIS A 176
ASP A 267
GLY A 305
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
FKS  A 711 (-3.9A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
FKS  A 711 (-3.2A)
 0.22A 5eenA-5td7A:
60.5		 5eenA-5td7A:
25.30
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.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2

(Mycolicibacterium
smegmatis) 		PF01261
(AP_endonuc_2) 		5 PRO A 251
SER A 286
ASP A 203
GLY A 205
TYR A 236
 None
None
MG  A 401 (-3.0A)
None
None
 1.26A 5eenA-5tnvA:
undetectable		 5eenA-5tnvA:
24.00
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS 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
 1.25A 5eenA-5vi6A:
41.4		 5eenA-5vi6A:
29.77
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS 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
 0.99A 5eenA-5vi6A:
41.4		 5eenA-5vi6A:
29.77
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS 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)
 0.34A 5eenA-5vi6A:
41.4		 5eenA-5vi6A:
29.77
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 SER 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)
 1.19A 5eenA-5vi6A:
41.4		 5eenA-5vi6A:
29.77