SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF8_B_LBHB2004

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) 		10 PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297
 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)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
 0.47A 5ef8B-1c3rA:
41.3		 5ef8B-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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 ASP A 285
HIS A 160
ASP A 148
HIS A 146
ASP A 144
 None
None
MN  A 350 (-2.5A)
MN  A 351 (-3.3A)
MN  A 350 ( 2.6A)
 1.18A 5ef8B-1gq7A:
4.1		 5ef8B-1gq7A:
22.86
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		5 PRO A  37
HIS A 196
HIS A 263
ASP A 120
TYR A  36
 None
ZN  A   1 ( 3.3A)
ZN  A   2 ( 3.3A)
ZN  A   2 ( 2.6A)
None
 1.41A 5ef8B-1l9yA:
undetectable		 5ef8B-1l9yA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		5 PRO A  39
SER A  70
HIS A 116
LEU A  87
TYR A  36
 None
None
ZN  A   1 (-3.4A)
None
None
 1.41A 5ef8B-1l9yA:
undetectable		 5ef8B-1l9yA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.16A 5ef8B-1qwyA:
undetectable		 5ef8B-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) 		9 HIS A 142
HIS A 143
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
LEU A 275
TYR A 312
 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 ( 4.6A)
3YP  A1452 (-4.6A)
 0.54A 5ef8B-1zz3A:
50.5		 5ef8B-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
LEU A 275
TYR A 312
 3YP  A1452 (-3.3A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 4.6A)
3YP  A1452 (-4.6A)
 0.92A 5ef8B-1zz3A:
50.5		 5ef8B-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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 HIS A 104
HIS A 106
PHE A 107
ASP A 191
LEU A  16
 ZN  A 252 (-3.3A)
ZN  A 252 ( 3.2A)
GOL  A 805 ( 4.4A)
ZN  A 251 ( 2.4A)
GOL  A 805 (-4.9A)
 1.16A 5ef8B-2a7mA:
undetectable		 5ef8B-2a7mA:
20.59
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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 SER X 189
HIS X 184
ASP X  50
HIS X 221
ASP X 145
 None
FE2  X1306 (-3.3A)
FE2  X1306 ( 2.8A)
FE2  X1305 (-3.4A)
FE2  X1306 ( 2.5A)
 1.38A 5ef8B-2bq8X:
undetectable		 5ef8B-2bq8X:
19.68
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 ASP A 277
HIS A 139
ASP A 126
HIS A 124
ASP A 122
 None
None
MN  A 301 ( 2.6A)
MN  A 302 ( 3.2A)
MN  A 302 (-2.5A)
 1.25A 5ef8B-2cevA:
4.5		 5ef8B-2cevA:
22.44
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 ASP A 104
PRO A  37
SER A  39
PHE A 255
LEU A 186
 ACT  A2005 ( 4.0A)
ACT  A2003 ( 4.5A)
None
None
ACT  A2003 ( 4.2A)
 1.46A 5ef8B-2e3jA:
undetectable		 5ef8B-2e3jA:
20.75
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.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.39A 5ef8B-2hawA:
undetectable		 5ef8B-2hawA:
21.30
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.
2nrx UVRABC SYSTEM
PROTEIN C

(Thermotoga
maritima) 		PF08459
(UvrC_HhH_N) 		5 ASP A 405
SER A 379
HIS A 495
LEU A 371
TYR A 375
 None
 1.48A 5ef8B-2nrxA:
undetectable		 5ef8B-2nrxA:
18.68
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.
2o6i HD DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF01966
(HD) 		5 HIS A 114
HIS A 129
ASP A 111
ASP A 183
TYR A 187
 None
None
ZN  A 501 (-2.6A)
ZN  A 501 (-2.4A)
None
 1.45A 5ef8B-2o6iA:
undetectable		 5ef8B-2o6iA:
20.41
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.
2q14 PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01966
(HD) 		5 HIS A  99
HIS A 116
ASP A  96
ASP A 162
TYR A 166
 None
None
None
None
EDO  A 502 ( 3.6A)
 1.48A 5ef8B-2q14A:
undetectable		 5ef8B-2q14A:
20.81
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.
2xst LIPOCALIN 15

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ASP A 115
PHE A  33
PHE A  99
LEU A 122
TYR A 139
 None
 1.39A 5ef8B-2xstA:
undetectable		 5ef8B-2xstA:
17.07
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASP A 350
SER A 360
HIS A 270
HIS A 362
ASP A   9
 None
None
ZN  A1001 (-4.8A)
ZN  A1001 ( 3.3A)
SO4  A3004 ( 4.5A)
 1.36A 5ef8B-3a52A:
2.3		 5ef8B-3a52A:
22.14
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
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)
 0.52A 5ef8B-3c10A:
56.6		 5ef8B-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)
 1.19A 5ef8B-3csqA:
undetectable		 5ef8B-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.
3d6b GLUTARYL-COA
DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 PRO A  75
SER A 104
ASP A 318
ASP A  78
LEU A  77
 None
 1.48A 5ef8B-3d6bA:
undetectable		 5ef8B-3d6bA:
22.75
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 HIS A 236
HIS A  56
PHE A  90
LEU A 156
TYR A 152
 ZN  A 501 (-3.4A)
ZN  A 502 (-3.3A)
KCX  A 147 ( 3.8A)
None
None
 1.45A 5ef8B-3dc8A:
undetectable		 5ef8B-3dc8A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fw0 PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01436
(NHL) 		5 PRO A 514
SER A 518
PHE A 531
ASP A 560
LEU A 563
 None
 1.45A 5ef8B-3fw0A:
undetectable		 5ef8B-3fw0A:
19.65
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.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ASP A  76
SER A  99
PHE A 145
LEU A 122
TYR A 127
 None
 1.49A 5ef8B-3gbrA:
2.1		 5ef8B-3gbrA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC1

(Schizosaccharomyces
pombe) 		PF01191
(RNA_pol_Rpb5_C)
PF03871
(RNA_pol_Rpb5_N) 		5 ASP E 134
HIS E 141
ASP E  24
LEU E  21
TYR E 182
 None
 1.45A 5ef8B-3h0gE:
undetectable		 5ef8B-3h0gE:
18.92
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 PRO A 171
SER A  20
HIS A  98
HIS A  23
LEU A 208
 None
None
ACT  A 666 ( 3.9A)
FE  A 444 ( 3.4A)
None
 1.50A 5ef8B-3ib7A:
undetectable		 5ef8B-3ib7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 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) 		10 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
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)
 0.47A 5ef8B-3maxA:
43.9		 5ef8B-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 SER 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)
 1.05A 5ef8B-3maxA:
43.9		 5ef8B-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 SER 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)
 1.46A 5ef8B-3maxA:
43.9		 5ef8B-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)
 1.15A 5ef8B-3menA:
40.2		 5ef8B-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) 		8 SER A 115
HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
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 (-4.5A)
 0.39A 5ef8B-3menA:
40.2		 5ef8B-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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 SER A 233
HIS A  59
HIS A 231
ASP A 151
HIS A 178
 None
ZN  A 429 (-3.4A)
ZN  A 430 (-3.6A)
ZN  A 429 ( 2.7A)
ZN  A 430 (-3.3A)
 1.47A 5ef8B-3mpgA:
undetectable		 5ef8B-3mpgA:
22.22
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.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 ASP A 290
HIS A 165
ASP A 152
HIS A 150
ASP A 148
 None
 1.26A 5ef8B-3nipA:
11.4		 5ef8B-3nipA:
23.74
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 ASP A 106
HIS A  16
HIS A 196
ASP A 277
ASP A 278
 None
ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.46A 5ef8B-3paoA:
undetectable		 5ef8B-3paoA:
21.15
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 158
ASP A 195
HIS A 197
PHE A 225
ASP A 284
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)
None
 0.29A 5ef8B-3q9cA:
41.3		 5ef8B-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.
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)
 1.34A 5ef8B-3rysA:
undetectable		 5ef8B-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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  19
HIS A 199
ASP A 280
LEU A  63
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
None
ADE  A 345 (-4.0A)
 1.34A 5ef8B-3rysA:
undetectable		 5ef8B-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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 ASP A 374
HIS A 233
ASP A 220
HIS A 218
ASP A 216
 None
FB6  A 414 (-3.5A)
FB6  A 414 ( 2.6A)
MN  A 412 ( 3.3A)
MN  A 413 (-2.6A)
 1.19A 5ef8B-3sl1A:
13.0		 5ef8B-3sl1A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ASP A 428
SER A 470
ASP A 270
PHE A 233
ASP A 344
 None
 1.29A 5ef8B-3vu2A:
undetectable		 5ef8B-3vu2A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 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) 		10 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
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)
 0.48A 5ef8B-4a69A:
43.1		 5ef8B-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 PRO 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)
 1.18A 5ef8B-4a69A:
43.1		 5ef8B-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 SER 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)
 1.04A 5ef8B-4a69A:
43.1		 5ef8B-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 SER 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)
 1.41A 5ef8B-4a69A:
43.1		 5ef8B-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) 		10 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
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)
 0.42A 5ef8B-4bkxB:
43.2		 5ef8B-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
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)
 1.08A 5ef8B-4bkxB:
43.2		 5ef8B-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) 		5 SER 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)
 1.16A 5ef8B-4bkxB:
43.2		 5ef8B-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) 		5 SER 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)
 1.37A 5ef8B-4bkxB:
43.2		 5ef8B-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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		8 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
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 (-4.4A)
 0.33A 5ef8B-4bz7A:
41.1		 5ef8B-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)
 1.11A 5ef8B-4bz7A:
41.1		 5ef8B-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 SER A 149
HIS A 141
HIS A 188
ASP A 285
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 (-4.4A)
 1.08A 5ef8B-4bz7A:
41.1		 5ef8B-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 SER A 149
HIS A 188
PHE A 216
ASP A 285
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 (-4.4A)
 1.42A 5ef8B-4bz7A:
41.1		 5ef8B-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) 		8 PRO 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
 0.55A 5ef8B-4cbyA:
55.0		 5ef8B-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
LEU A 943
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
None
 0.78A 5ef8B-4cbyA:
55.0		 5ef8B-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) 		5 PRO 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
 1.27A 5ef8B-4cbyA:
55.0		 5ef8B-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.
4dvh SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A 167
HIS A  28
PHE A  20
PHE A  83
TYR A 180
 FE  A 301 (-3.3A)
FE  A 301 (-3.3A)
None
None
None
 1.50A 5ef8B-4dvhA:
undetectable		 5ef8B-4dvhA:
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 ASP A 292
HIS A 175
ASP A 163
HIS A 161
ASP A 159
 None
UNK  A 407 ( 3.8A)
MN  A 402 (-2.5A)
MN  A 401 (-3.4A)
MN  A 402 ( 2.5A)
 1.19A 5ef8B-4dz4A:
11.7		 5ef8B-4dz4A:
22.02
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 SER A 245
HIS A 139
HIS A 312
PHE A  39
LEU A 315
 None
 1.50A 5ef8B-4ktpA:
undetectable		 5ef8B-4ktpA:
18.54
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		5 HIS A 210
ASP A 214
PHE A 182
ASP A 235
LEU A 234
 None
CA  A 401 (-2.7A)
None
CA  A 401 (-2.2A)
None
 1.44A 5ef8B-4o6mA:
undetectable		 5ef8B-4o6mA:
23.44
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.
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
 1.09A 5ef8B-4qpbA:
undetectable		 5ef8B-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)
 1.39A 5ef8B-4qpbA:
undetectable		 5ef8B-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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 HIS A 240
HIS A  61
PHE A  95
LEU A 160
TYR A 156
 ZN  A 502 (-3.5A)
ZN  A 501 (-3.4A)
KCX  A 151 ( 3.7A)
None
None
 1.45A 5ef8B-4tqtA:
undetectable		 5ef8B-4tqtA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ASP A 188
HIS A 275
PHE A 273
ASP A 322
LEU A 316
 None
 1.42A 5ef8B-5df0A:
undetectable		 5ef8B-5df0A:
20.60
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 12 ASP B 497
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 ( 4.5A)
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)
 0.34A 5ef8B-5eduB:
63.6		 5ef8B-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 PRO 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)
 1.08A 5ef8B-5eduB:
63.6		 5ef8B-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)
 1.19A 5ef8B-5eduB:
63.6		 5ef8B-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) 		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)
 0.98A 5ef8B-5eefA:
61.2		 5ef8B-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) 		9 PRO A  83
SER A 150
HIS A 192
HIS A 193
PHE A 202
ASP A 230
HIS A 232
ASP A 323
TYR A 363
 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 (-4.3A)
 0.42A 5ef8B-5eefA:
61.2		 5ef8B-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 10 ASP B 460
PRO B 464
HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
LEU B 712
TYR B 745
 None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
None
 0.29A 5ef8B-5efnB:
67.6		 5ef8B-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 ASP B 460
SER B 531
HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
LEU B 712
TYR B 745
 None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
None
 0.55A 5ef8B-5efnB:
67.6		 5ef8B-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
LEU B 712
TYR B 745
 None
None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
None
 0.98A 5ef8B-5efnB:
67.6		 5ef8B-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)
 1.15A 5ef8B-5efnB:
67.6		 5ef8B-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 ASP A 460
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
LEU A 712
TYR A 745
 EDO  A1811 (-4.2A)
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)
None
E1Z  A1801 (-4.4A)
 0.26A 5ef8B-5g0hA:
67.2		 5ef8B-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 PRO A 464
HIS A 574
HIS A 614
ASP A 705
LEU A 712
TYR A 745
 None
E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 1.06A 5ef8B-5g0hA:
67.2		 5ef8B-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)
 1.20A 5ef8B-5g0hA:
67.2		 5ef8B-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) 		9 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 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)
None
6DK  A1375 (-4.4A)
 0.41A 5ef8B-5g10A:
48.9		 5ef8B-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
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.94A 5ef8B-5g10A:
48.9		 5ef8B-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.
5h6b PUTATIVE SECRETED
LIPASE

(Streptomyces
sp. W007) 		PF01674
(Lipase_2) 		5 PRO A 115
ASP A  92
ASP A  88
LEU A  87
TYR A 118
 None
ZN  A 304 (-3.3A)
ZN  A 304 (-2.7A)
None
None
 1.49A 5ef8B-5h6bA:
2.2		 5ef8B-5h6bA:
20.58
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) 		9 PRO A  21
HIS A 125
HIS A 126
PHE A 135
ASP A 163
HIS A 165
ASP A 244
LEU A 251
TYR A 288
 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)
None
None
 0.30A 5ef8B-5ji5A:
45.6		 5ef8B-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 PRO A  21
HIS A 126
HIS A 165
ASP A 244
LEU A 251
TYR A 288
 None
EDO  A 403 (-4.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
None
 1.09A 5ef8B-5ji5A:
45.6		 5ef8B-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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 5 ASP B 442
HIS B 219
ASP B 271
HIS B 275
ASP B 345
 None
None
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
 1.34A 5ef8B-5oarB:
undetectable		 5ef8B-5oarB:
14.11
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 136
HIS A 137
PHE A 146
ASP A 174
HIS A 176
ASP A 267
 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)
 0.25A 5ef8B-5td7A:
60.3		 5ef8B-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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS 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)
 0.32A 5ef8B-5vi6A:
41.2		 5ef8B-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.
5yh1 -

(-) 		no annotation 5 ASP A 679
HIS A 463
ASP A 436
HIS A 462
ASP A 366
 None
None
MN  A 805 (-2.5A)
MN  A 805 (-3.6A)
MN  A 805 (-3.1A)
 1.42A 5ef8B-5yh1A:
3.4		 5ef8B-5yh1A:
undetectable