SIMILAR PATTERNS OF AMINO ACIDS FOR 4QA2_A_SHHA404_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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		5 TYR A  83
HIS A 186
HIS A 158
GLY A 127
ASP A 243
 None
ZN  A 293 (-3.3A)
ZN  A 293 (-3.3A)
None
ZN  A   1 (-2.7A)
 1.21A 4qa2A-1bf6A:
undetectable		 4qa2A-1bf6A:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 HIS A 131
HIS A 132
GLY A 140
ASP A 168
GLY A 294
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
None
 0.96A 4qa2A-1c3rA:
44.7		 4qa2A-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		10 HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
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)
 0.33A 4qa2A-1c3rA:
44.7		 4qa2A-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 HIS A 132
HIS A 170
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-3.9A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 1.06A 4qa2A-1c3rA:
44.7		 4qa2A-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		10 TYR A  91
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
 None
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 0.82A 4qa2A-1c3rA:
44.7		 4qa2A-1c3rA:
32.41
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
GLY A 241
ASP A 214
HIS A 293
 None
None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
 1.20A 4qa2A-1qwyA:
undetectable		 4qa2A-1qwyA:
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		5 TYR A  75
HIS A  96
GLY A  30
ASP A 227
MET A 128
 None
 1.31A 4qa2A-1zoiA:
undetectable		 4qa2A-1zoiA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zps PHOSPHORIBOSYL-AMP
CYCLOHYDROLASE

(Methanothermobacter
thermautotrophicus) 		PF01502
(PRA-CH) 		5 TYR A  58
HIS A  16
ASP A  87
ASP A  85
GLY A  88
 None
CD  A2611 ( 4.5A)
CD  A2606 (-2.2A)
CD  A2607 ( 2.5A)
None
 1.18A 4qa2A-1zpsA:
undetectable		 4qa2A-1zpsA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		10 HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
GLY A 310
TYR A 312
 3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
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)
 0.54A 4qa2A-1zz3A:
42.4		 4qa2A-1zz3A:
26.81
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 HIS A 143
HIS A 182
ASP A 268
GLY A 310
TYR A 312
 3YP  A1452 (-3.4A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 1.05A 4qa2A-1zz3A:
42.4		 4qa2A-1zz3A:
26.81
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		6 PHE A 152
HIS A 182
PHE A 208
ASP A 268
GLY A 311
TYR A 312
 3YP  A1452 (-3.8A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
None
3YP  A1452 (-4.6A)
 1.25A 4qa2A-1zz3A:
42.4		 4qa2A-1zz3A:
26.81
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  55
HIS A 239
GLY A 213
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.4A)
None
CO  A1000 (-2.7A)
None
 1.26A 4qa2A-2amxA:
undetectable		 4qa2A-2amxA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fn9 RIBOSE ABC
TRANSPORTER,
PERIPLASMIC
RIBOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13407
(Peripla_BP_4) 		5 GLY A 114
PHE A 117
ASP A 157
HIS A 153
TYR A 133
 None
 1.25A 4qa2A-2fn9A:
undetectable		 4qa2A-2fn9A:
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.
2g0f THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Escherichia
coli) 		PF08534
(Redoxin) 		5 GLY A 139
ASP A 129
MET A 103
GLY A 132
TYR A 105
 None
 0.97A 4qa2A-2g0fA:
undetectable		 4qa2A-2g0fA:
18.59
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.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 TYR C 218
GLY C 169
ASP C  85
HIS C 241
GLY C 116
 None
None
MN  C 501 ( 2.3A)
MN  C 501 (-3.1A)
None
 1.21A 4qa2A-2nymC:
undetectable		 4qa2A-2nymC:
20.69
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.
2xhs NUCLEAR HORMONE
RECEPTOR FTZ-F1

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 HIS A 884
GLY A 783
ASP A 932
GLY A 931
TYR A 969
 None
 1.13A 4qa2A-2xhsA:
undetectable		 4qa2A-2xhsA:
20.54
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 TYR B 156
GLY B 234
ASP B 215
GLY B 228
TYR B 216
 None
 1.13A 4qa2A-3aqcB:
undetectable		 4qa2A-3aqcB:
23.04
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 TYR A 227
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)
 1.23A 4qa2A-3b9tA:
undetectable		 4qa2A-3b9tA:
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.
3bij UNCHARACTERIZED
PROTEIN GSU0716

(Geobacter
sulfurreducens) 		PF00656
(Peptidase_C14) 		5 GLY A 207
PHE A 223
ASP A  32
MET A  36
GLY A 221
 None
 1.30A 4qa2A-3bijA:
undetectable		 4qa2A-3bijA:
23.11
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
 0.40A 4qa2A-3c10A:
39.9		 4qa2A-3c10A:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 4qa2A-3c10A:
39.9		 4qa2A-3c10A:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		5 HIS A  60
HIS A 251
GLY A 250
ASP A 195
GLY A 254
 None
 0.98A 4qa2A-3dclA:
undetectable		 4qa2A-3dclA:
22.25
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.
3e7f 6-PHOSPHOGLUCONOLACT
ONASE

(Trypanosoma
brucei) 		PF01182
(Glucosamine_iso) 		5 GLY A 159
HIS A 165
ASP A 163
MET A 194
GLY A 164
 6PG  A 843 ( 4.4A)
6PG  A 843 (-3.5A)
None
6PG  A 843 (-3.7A)
None
 1.16A 4qa2A-3e7fA:
3.6		 4qa2A-3e7fA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg2 SUGAR DEHYDROGENASE,
UDP-GLUCOSE/GDP-MANN
OSE DEHYDROGENASE
FAMILY

(Porphyromonas
gingivalis) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 401
ASP A 493
HIS A 467
PHE A 474
GLY A 494
 None
 1.24A 4qa2A-3gg2A:
2.5		 4qa2A-3gg2A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l57 MOBILIZATION PROTEIN
TRAI

(Escherichia
coli) 		PF08751
(TrwC) 		5 TYR A  83
HIS A 149
HIS A 162
PHE A 164
GLY A  17
 None
MN3  A 300 (-3.2A)
MN3  A 300 ( 3.3A)
None
None
 1.06A 4qa2A-3l57A:
undetectable		 4qa2A-3l57A:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 154
PHE A 155
PHE A 210
ASP A 181
GLY A 305
 LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.5A)
 1.30A 4qa2A-3maxA:
55.6		 4qa2A-3maxA:
40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
 0.32A 4qa2A-3maxA:
55.6		 4qa2A-3maxA:
40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
PHE A 210
GLY A 305
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
 1.05A 4qa2A-3maxA:
55.6		 4qa2A-3maxA:
40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 146
HIS A 183
ASP A 269
GLY A 306
TYR A 308
 LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
 1.02A 4qa2A-3maxA:
55.6		 4qa2A-3maxA:
40.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PHE A 155
PHE A 210
ASP A 269
GLY A 307
TYR A 308
 LLX  A 400 (-4.1A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
None
LLX  A 400 (-4.4A)
 1.29A 4qa2A-3maxA:
55.6		 4qa2A-3maxA:
40.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		9 HIS A 156
HIS A 157
GLY A 165
PHE A 166
ASP A 192
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
SO4  A 401 (-4.9A)
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)
 0.42A 4qa2A-3menA:
36.0		 4qa2A-3menA:
25.69
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 HIS A 157
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 1.11A 4qa2A-3menA:
36.0		 4qa2A-3menA:
25.69
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.
3nyy PUTATIVE
GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM

([Ruminococcus]
gnavus) 		PF01551
(Peptidase_M23) 		5 HIS A 243
HIS A 204
GLY A 186
ASP A 156
HIS A 245
 None
 1.22A 4qa2A-3nyyA:
undetectable		 4qa2A-3nyyA:
21.54
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.28A 4qa2A-3paoA:
undetectable		 4qa2A-3paoA:
24.02
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		8 HIS A 158
GLY A 167
ASP A 195
HIS A 197
PHE A 225
ASP A 284
GLY A 321
TYR A 323
 Q9C  A 401 (-4.2A)
Q9C  A 401 (-3.7A)
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
 0.49A 4qa2A-3q9cA:
35.2		 4qa2A-3q9cA:
25.80
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.
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
 1.24A 4qa2A-3q9cA:
35.2		 4qa2A-3q9cA:
25.80
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 197
PHE A 225
ASP A 284
GLY A 322
TYR A 323
 ZN  A 343 (-3.4A)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
None
None
 1.31A 4qa2A-3q9cA:
35.2		 4qa2A-3q9cA:
25.80
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.
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)
 1.27A 4qa2A-3rysA:
undetectable		 4qa2A-3rysA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
GLY A 295
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
None
 1.07A 4qa2A-4a69A:
55.0		 4qa2A-4a69A:
40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 0.32A 4qa2A-4a69A:
55.0		 4qa2A-4a69A:
40.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 135
HIS A 172
ASP A 259
GLY A 296
TYR A 298
 ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 1.08A 4qa2A-4a69A:
55.0		 4qa2A-4a69A:
40.10
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 TYR A 433
GLY A 518
ASP A 405
ASP A 200
GLY A 201
 None
None
ZN  A1002 (-2.3A)
ZN  A1002 ( 2.1A)
None
 1.20A 4qa2A-4b56A:
undetectable		 4qa2A-4b56A:
16.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 0.32A 4qa2A-4bkxB:
54.8		 4qa2A-4bkxB:
33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
PHE B 205
GLY B 300
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
None
ACT  B 601 ( 4.8A)
 1.11A 4qa2A-4bkxB:
54.8		 4qa2A-4bkxB:
33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS B 141
HIS B 178
ASP B 264
GLY B 301
TYR B 303
 ACT  B 601 (-3.8A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 0.96A 4qa2A-4bkxB:
54.8		 4qa2A-4bkxB:
33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.27A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		10 HIS A 141
HIS A 142
GLY A 150
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)
GOL  A 800 ( 3.5A)
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)
 0.28A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		7 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
PHE A 216
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
B3N  A 700 ( 3.7A)
None
 1.08A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.97A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.93A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.60A 4qa2A-4cbyA:
40.0		 4qa2A-4cbyA:
28.70
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 HIS A 157
GLY A 176
ASP A 159
HIS A 161
ASP A 244
 None
UNK  A 409 ( 3.4A)
MN  A 402 ( 2.5A)
MN  A 401 (-3.4A)
MN  A 401 (-2.0A)
 1.11A 4qa2A-4dz4A:
11.8		 4qa2A-4dz4A:
21.18
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  66
ASP A 189
HIS A -14
ASP A  36
GLY A  38
 EDO  A 328 (-3.6A)
ZN  A 301 (-2.0A)
ZN  A 301 (-3.1A)
ZN  A 301 (-2.3A)
ZN  A 301 ( 3.9A)
 1.13A 4qa2A-4ehcA:
undetectable		 4qa2A-4ehcA:
19.59
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  66
HIS A -16
ASP A 189
MET A 187
GLY A 192
 EDO  A 328 (-3.6A)
ZN  A 301 ( 3.2A)
ZN  A 301 (-2.0A)
None
ZN  A 301 ( 4.9A)
 1.13A 4qa2A-4ehcA:
undetectable		 4qa2A-4ehcA:
19.59
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 HIS A 298
GLY A 294
ASP A 265
HIS A 291
GLY A 318
 None
 0.91A 4qa2A-4hdsA:
undetectable		 4qa2A-4hdsA:
25.28
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
 ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
 1.12A 4qa2A-4keqA:
undetectable		 4qa2A-4keqA:
21.69
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		5 HIS A 257
GLY A 278
HIS A 254
ASP A 171
GLY A 272
 None
None
ZN  A1000 (-3.1A)
ZN  A1000 (-2.1A)
None
 1.30A 4qa2A-4mcaA:
3.0		 4qa2A-4mcaA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		5 HIS A 137
GLY A 107
PHE A 112
MET A  72
GLY A  33
 MG  A 301 ( 3.2A)
None
EDO  A 306 (-4.5A)
None
None
 1.18A 4qa2A-4ml9A:
undetectable		 4qa2A-4ml9A:
19.70
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.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 TYR A 259
HIS A 329
GLY A 328
ASP A 244
GLY A 245
 PEG  A 504 ( 4.2A)
TLA  A 502 (-4.0A)
None
ZN  A 501 ( 2.5A)
None
 1.23A 4qa2A-4mrqA:
undetectable		 4qa2A-4mrqA:
20.93
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.
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
 1.23A 4qa2A-4qpbA:
undetectable		 4qa2A-4qpbA:
14.92
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		6 TYR A 308
HIS A 360
HIS A 329
GLY A 310
ASP A 283
HIS A 362
 None
None
None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
 1.46A 4qa2A-4qpbA:
undetectable		 4qa2A-4qpbA:
14.92
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  66
GLY A  65
PHE A 125
MET A 332
TYR A 329
 ZN  A 401 ( 3.1A)
None
None
8ID  A 403 ( 4.7A)
None
 1.31A 4qa2A-4w6zA:
undetectable		 4qa2A-4w6zA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yke MRE11

(Chaetomium
thermophilum) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 HIS A  19
HIS A 243
GLY A 263
ASP A  57
GLY A  56
 MN  A 601 (-3.4A)
MN  A 601 (-3.5A)
None
MN  A 602 ( 2.7A)
None
 1.29A 4qa2A-4ykeA:
undetectable		 4qa2A-4ykeA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 HIS A 215
HIS A 210
GLY A 211
PHE A 217
GLY A 219
 DGT  A 701 (-3.6A)
DGT  A 701 (-4.5A)
None
None
None
 1.12A 4qa2A-4zweA:
undetectable		 4qa2A-4zweA:
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 HIS A 215
HIS A 210
GLY A 211
PHE A 217
GLY A 219
 DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
None
None
DG3  A2001 ( 4.4A)
 1.12A 4qa2A-5ao0A:
undetectable		 4qa2A-5ao0A:
22.35
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 10 HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.40A 4qa2A-5eduB:
41.8		 4qa2A-5eduB:
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
 TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
 1.24A 4qa2A-5eduB:
41.8		 4qa2A-5eduB:
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
 TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.98A 4qa2A-5eduB:
41.8		 4qa2A-5eduB:
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 PHE B 620
HIS B 651
PHE B 680
ASP B 742
GLY B 781
TYR B 782
 TSN  B2501 (-3.7A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
 1.19A 4qa2A-5eduB:
41.8		 4qa2A-5eduB:
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 192
HIS A 193
ASP A 230
ASP A 323
GLY A 321
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 ( 2.7A)
None
 1.30A 4qa2A-5eefA:
41.8		 4qa2A-5eefA:
27.07
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		9 HIS A 192
HIS A 193
GLY A 201
PHE A 202
ASP A 230
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 0.41A 4qa2A-5eefA:
41.8		 4qa2A-5eefA:
27.07
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 192
HIS A 232
ASP A 323
GLY A 362
TYR A 363
 TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 (-4.3A)
 1.22A 4qa2A-5eefA:
41.8		 4qa2A-5eefA:
27.07
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 193
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 0.94A 4qa2A-5eefA:
41.8		 4qa2A-5eefA:
27.07
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 9 HIS B 573
GLY B 582
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
TYR B 745
 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
 0.48A 4qa2A-5efnB:
41.6		 4qa2A-5efnB:
27.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 HIS B 573
HIS B 614
ASP B 705
GLY B 744
TYR B 745
 None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
None
 1.20A 4qa2A-5efnB:
41.6		 4qa2A-5efnB:
27.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 6 PHE B 583
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
 1.23A 4qa2A-5efnB:
41.6		 4qa2A-5efnB:
27.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		10 HIS A 573
HIS A 574
GLY A 582
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
TYR A 745
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.6A)
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)
 0.38A 4qa2A-5g0hA:
41.4		 4qa2A-5g0hA:
19.70
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 573
HIS A 614
ASP A 705
GLY A 744
TYR A 745
 E1Z  A1801 (-3.9A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 1.22A 4qa2A-5g0hA:
41.4		 4qa2A-5g0hA:
19.70
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 574
HIS A 614
ASP A 705
GLY A 743
TYR A 745
 E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 1.01A 4qa2A-5g0hA:
41.4		 4qa2A-5g0hA:
19.70
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 PHE A 583
HIS A 614
PHE A 643
ASP A 705
GLY A 744
TYR A 745
 E1Z  A1801 (-3.9A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 1.17A 4qa2A-5g0hA:
41.4		 4qa2A-5g0hA:
19.70
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		10 HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
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)
 0.45A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.25A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 143
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.25A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 144
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.03A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 183
PHE A 209
ASP A 269
GLY A 312
TYR A 313
 ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.29A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		5 HIS A 216
PHE A 251
ASP A 220
HIS A 248
GLY A 247
 None
None
None
F50  A 301 (-4.0A)
None
 1.30A 4qa2A-5h3hA:
2.2		 4qa2A-5h3hA:
20.25
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		9 HIS A 125
HIS A 126
GLY A 134
PHE A 135
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
EDO  A 403 (-4.2A)
EDO  A 403 (-3.6A)
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
 0.34A 4qa2A-5ji5A:
37.6		 4qa2A-5ji5A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 126
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 EDO  A 403 (-4.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 0.99A 4qa2A-5ji5A:
37.6		 4qa2A-5ji5A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqc PEPTIDASE M23

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 157
HIS A 125
GLY A 106
ASP A  80
HIS A 159
 None
None
None
ZN  A 201 (-1.5A)
ZN  A 201 (-3.2A)
 1.16A 4qa2A-5kqcA:
undetectable		 4qa2A-5kqcA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ntf AMINOPEPTIDASE

(Trypanosoma
cruzi) 		PF00883
(Peptidase_M17) 		5 ASP A 370
PHE A 304
ASP A 293
MET A 308
GLY A 295
 None
 1.22A 4qa2A-5ntfA:
2.6		 4qa2A-5ntfA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.29A 4qa2A-5o25A:
undetectable		 4qa2A-5o25A:
21.10
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 HIS A 136
HIS A 137
GLY A 145
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 (-4.5A)
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)
 0.34A 4qa2A-5td7A:
41.6		 4qa2A-5td7A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 HIS A 136
HIS A 137
HIS A 176
ASP A 267
GLY A 265
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.21A 4qa2A-5td7A:
41.6		 4qa2A-5td7A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 TYR A  96
HIS A 137
HIS A 176
ASP A 267
GLY A 265
 None
FKS  A 711 (-3.5A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.12A 4qa2A-5td7A:
41.6		 4qa2A-5td7A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue2 MATRILYSIN

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 HIS A 158
HIS A 171
GLY A 137
ASP A 145
GLY A 141
 ZN  A 303 (-3.3A)
ZN  A 303 (-3.5A)
None
ZN  A 303 (-2.7A)
None
 1.32A 4qa2A-5ue2A:
undetectable		 4qa2A-5ue2A:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
GLY A 303
 None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
 1.03A 4qa2A-5vi6A:
64.5		 4qa2A-5vi6A:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		11 HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
MET A 274
GLY A 304
TYR A 306
 None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 0.32A 4qa2A-5vi6A:
64.5		 4qa2A-5vi6A:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS A 143
HIS A 180
ASP A 267
MET A 274
GLY A 304
TYR A 306
 EDO  A 410 (-4.4A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.1A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 1.14A 4qa2A-5vi6A:
64.5		 4qa2A-5vi6A:
97.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 HIS A 257
GLY A 278
HIS A 254
ASP A 171
GLY A 272
 None
None
ZN  A 401 (-3.4A)
ZN  A 401 (-2.3A)
None
 1.31A 4qa2A-5xn8A:
3.0		 4qa2A-5xn8A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azt ASPARAGINYL
ENDOPEPTIDASE 1

(Helianthus
annuus) 		no annotation 5 GLY A  72
ASP A  79
HIS A  76
ASP A 270
GLY A 269
 None
None
SNN  A 177 ( 3.3A)
None
None
 1.11A 4qa2A-6aztA:
2.8		 4qa2A-6aztA:
11.57