SIMILAR PATTERNS OF AMINO ACIDS FOR 4QA2_A_SHHA404

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aur CARBOXYLESTERASE

(Pseudomonas
fluorescens) 		PF02230
(Abhydrolase_2) 		3 PRO A 196
MET A 197
TYR A 195
 None
 0.89A 4qa2B-1aurA:
2.8		 4qa2B-1aurA:
18.55
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.
1b8i PROTEIN
(ULTRABITHORAX
HOMEOTIC PROTEIN IV)

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 PRO A  90
MET A  92
TYR A  89
 None
 0.95A 4qa2B-1b8iA:
undetectable		 4qa2B-1b8iA:
16.05
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.
1cm0 P300/CBP ASSOCIATING
FACTOR

(Homo sapiens) 		no annotation 3 PRO B 530
MET B 529
TYR B 533
 None
 1.03A 4qa2B-1cm0B:
undetectable		 4qa2B-1cm0B:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 PRO A  58
MET A  59
TYR A  57
 None
 1.05A 4qa2B-1dmsA:
undetectable		 4qa2B-1dmsA:
17.68
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.
1ev1 ECHOVIRUS 1

(Enterovirus B) 		PF00073
(Rhv) 		3 PRO 2 203
MET 2 202
TYR 2  35
 None
 1.05A 4qa2B-1ev12:
undetectable		 4qa2B-1ev12:
20.00
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.
1g29 MALTOSE TRANSPORT
PROTEIN MALK

(Thermococcus
litoralis) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		3 PRO 1  94
MET 1  96
TYR 1  93
 None
 0.89A 4qa2B-1g291:
undetectable		 4qa2B-1g291:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 PRO A 152
MET A 153
TYR A 149
 None
 0.90A 4qa2B-1gwiA:
undetectable		 4qa2B-1gwiA:
22.00
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.
1j32 ASPARTATE
AMINOTRANSFERASE

(Phormidium
lapideum) 		PF00155
(Aminotran_1_2) 		3 PRO A 128
MET A 130
TYR A 127
 None
 1.01A 4qa2B-1j32A:
2.4		 4qa2B-1j32A:
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		3 PRO A  87
MET A  89
TYR A  86
 None
 0.85A 4qa2B-1js6A:
4.1		 4qa2B-1js6A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mov GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Montipora
efflorescens) 		PF01353
(GFP) 		3 PRO A 190
MET A 189
TYR A  82
 None
IOD  A 303 ( 4.8A)
None
 0.79A 4qa2B-1movA:
undetectable		 4qa2B-1movA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ohf NUDAURELIA CAPENSIS
OMEGA VIRUS CAPSID
PROTEIN

(Nudaurelia
capensis omega
virus) 		PF03566
(Peptidase_A21) 		3 PRO A 158
MET A 159
TYR A 157
 None
 1.04A 4qa2B-1ohfA:
undetectable		 4qa2B-1ohfA:
18.28
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 PRO A 524
MET A 525
TYR A 521
 None
 0.95A 4qa2B-1qlbA:
undetectable		 4qa2B-1qlbA:
20.06
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 PRO A  60
MET A  61
TYR A  59
 None
 0.90A 4qa2B-1tmoA:
2.8		 4qa2B-1tmoA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vi7 HYPOTHETICAL PROTEIN
YIGZ

(Escherichia
coli) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		3 PRO A  85
MET A  86
TYR A 120
 None
 1.00A 4qa2B-1vi7A:
undetectable		 4qa2B-1vi7A:
21.86
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.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		3 PRO A 119
MET A 120
TYR A 118
 None
 0.99A 4qa2B-1vz8A:
undetectable		 4qa2B-1vz8A:
24.55
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.
1xqm KINDLING FLUORESCENT
PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		3 PRO A 190
MET A 189
TYR A  79
 None
 0.82A 4qa2B-1xqmA:
undetectable		 4qa2B-1xqmA:
18.69
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 135
MET A 134
TYR A 251
 None
 0.89A 4qa2B-1xrcA:
undetectable		 4qa2B-1xrcA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y97 THREE PRIME REPAIR
EXONUCLEASE 2

(Homo sapiens) 		no annotation 3 PRO A 125
MET A 225
TYR A 122
 None
 1.01A 4qa2B-1y97A:
undetectable		 4qa2B-1y97A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a46 GFP-LIKE FLUORESCENT
CHROMOPROTEIN
AMFP486

(Anemonia majano) 		PF01353
(GFP) 		3 PRO A 192
MET A 191
TYR A  84
 None
 0.89A 4qa2B-2a46A:
undetectable		 4qa2B-2a46A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d62 MULTIPLE
SUGAR-BINDING
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		3 PRO A  97
MET A  99
TYR A  96
 None
SO4  A1005 ( 3.8A)
None
 0.99A 4qa2B-2d62A:
2.8		 4qa2B-2d62A:
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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 PRO A 567
MET A 566
TYR A 573
 None
 0.69A 4qa2B-2db3A:
6.5		 4qa2B-2db3A:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dfx COLICIN-E5 IMMUNITY
PROTEIN

(Escherichia
coli) 		PF11480
(ImmE5) 		3 PRO I  73
MET I  72
TYR I  76
 None
 0.97A 4qa2B-2dfxI:
undetectable		 4qa2B-2dfxI:
13.56
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.
2fl1 RED FLUORESCENT
PROTEIN ZOANRFP

(Zoanthus sp.) 		PF01353
(GFP) 		3 PRO A 195
MET A 194
TYR A  82
 None
 0.86A 4qa2B-2fl1A:
undetectable		 4qa2B-2fl1A:
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.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		3 PRO A 391
MET A 390
TYR A 360
 None
 0.97A 4qa2B-2hv2A:
undetectable		 4qa2B-2hv2A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ib5 CHROMO PROTEIN

(Epiactis
japonica) 		PF01353
(GFP) 		3 PRO A 190
MET A 189
TYR A  79
 None
 0.74A 4qa2B-2ib5A:
undetectable		 4qa2B-2ib5A:
17.88
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		3 PRO 1 110
MET 1 112
TYR 1 109
 None
 0.99A 4qa2B-2ijd1:
undetectable		 4qa2B-2ijd1:
21.00
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.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran) 		3 PRO A  88
MET A  90
TYR A  87
 None
 0.95A 4qa2B-2it1A:
undetectable		 4qa2B-2it1A:
20.92
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.
2iwg 52 KDA RO PROTEIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		3 PRO B  46
MET B  47
TYR B  45
 None
 0.82A 4qa2B-2iwgB:
undetectable		 4qa2B-2iwgB:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 151
MET A 150
TYR A 271
 None
 0.89A 4qa2B-2obvA:
undetectable		 4qa2B-2obvA:
21.81
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.
2ogr FLUORESCENT PROTEIN
FP538

(Zoanthus sp.) 		PF01353
(GFP) 		3 PRO A 195
MET A 194
TYR A  82
 None
 0.86A 4qa2B-2ogrA:
undetectable		 4qa2B-2ogrA:
21.07
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.
2onk MOLYBDATE/TUNGSTATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Archaeoglobus
fulgidus) 		PF00528
(BPD_transp_1) 		3 PRO C 210
MET C 211
TYR C 209
 None
 0.92A 4qa2B-2onkC:
undetectable		 4qa2B-2onkC:
22.74
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.
2p64 F-BOX/WD REPEAT
PROTEIN 1A

(Homo sapiens) 		PF12125
(Beta-TrCP_D) 		3 PRO A 174
MET A 175
TYR A 171
 None
 0.73A 4qa2B-2p64A:
undetectable		 4qa2B-2p64A:
10.85
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.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		3 PRO A 393
MET A 394
TYR A 392
 None
 1.03A 4qa2B-2pg6A:
undetectable		 4qa2B-2pg6A:
22.77
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.
2pxs GFP-LIKE FLUORESCENT
CHROMOPROTEIN FP506

(Zoanthus sp.) 		PF01353
(GFP) 		3 PRO A 195
MET A 194
TYR A  82
 None
 0.90A 4qa2B-2pxsA:
undetectable		 4qa2B-2pxsA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3p UNCHARACTERIZED
PROTEIN AT3G17210

(Arabidopsis
thaliana) 		PF07876
(Dabb) 		3 PRO A  44
MET A  45
TYR A  80
 None
 0.85A 4qa2B-2q3pA:
undetectable		 4qa2B-2q3pA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5y HOMEOTIC PROTEIN SEX
COMBS REDUCED

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		3 PRO A  83
MET A  85
TYR A  82
 None
 1.04A 4qa2B-2r5yA:
undetectable		 4qa2B-2r5yA:
11.61
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		3 PRO A 317
MET A 318
TYR A 316
 None
 1.01A 4qa2B-2rgjA:
undetectable		 4qa2B-2rgjA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rh7 GREEN FLUORESCENT
PROTEIN

(Renilla
reniformis) 		PF01353
(GFP) 		3 PRO A 191
MET A 190
TYR A  82
 None
 0.81A 4qa2B-2rh7A:
undetectable		 4qa2B-2rh7A:
22.98
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.
2v4i GLUTAMATE
N-ACETYLTRANSFERASE
2 ALPHA CHAIN

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		3 PRO A 119
MET A 120
TYR A 118
 None
 0.93A 4qa2B-2v4iA:
undetectable		 4qa2B-2v4iA:
17.98
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.
2yjt ATP-DEPENDENT RNA
HELICASE SRMB

(Escherichia
coli) 		PF00271
(Helicase_C) 		3 PRO D 326
MET D 325
TYR D 332
 None
 0.96A 4qa2B-2yjtD:
3.7		 4qa2B-2yjtD:
17.69
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.
2yv3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 PRO A 277
MET A 278
TYR A 276
 None
 0.82A 4qa2B-2yv3A:
undetectable		 4qa2B-2yv3A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yyz SUGAR ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		3 PRO A  88
MET A  90
TYR A  87
 None
PEG  A2001 ( 4.7A)
PEG  A2001 ( 4.6A)
 1.03A 4qa2B-2yyzA:
3.1		 4qa2B-2yyzA:
21.74
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.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483

(Discosoma
striata) 		PF01353
(GFP) 		3 PRO A 191
MET A 190
TYR A  82
 None
 0.85A 4qa2B-3cglA:
undetectable		 4qa2B-3cglA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		3 PRO A 573
MET A 575
TYR A 572
 None
 0.80A 4qa2B-3ciaA:
undetectable		 4qa2B-3ciaA:
19.80
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.
3cn7 CARBOXYLESTERASE

(Pseudomonas
aeruginosa) 		PF02230
(Abhydrolase_2) 		3 PRO A 194
MET A 195
TYR A 193
 None
 0.89A 4qa2B-3cn7A:
3.0		 4qa2B-3cn7A:
21.56
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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Methanosarcina
acetivorans) 		PF00528
(BPD_transp_1) 		3 PRO C 222
MET C 223
TYR C 221
 None
 0.92A 4qa2B-3d31C:
undetectable		 4qa2B-3d31C:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		3 PRO A 210
MET A 211
TYR A 207
 None
SXN  A1401 (-3.8A)
RET  A1301 (-3.8A)
 0.83A 4qa2B-3ddlA:
undetectable		 4qa2B-3ddlA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		3 PRO A  32
MET A  68
TYR A  97
 None
 1.05A 4qa2B-3dmsA:
2.9		 4qa2B-3dmsA:
23.68
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.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		3 PRO A 230
MET A 229
TYR A 233
 None
 1.03A 4qa2B-3du4A:
undetectable		 4qa2B-3du4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		3 PRO A 301
MET A 302
TYR A 300
 None
 0.91A 4qa2B-3eafA:
2.7		 4qa2B-3eafA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 PRO A1058
MET A1061
TYR A 822
 None
 0.67A 4qa2B-3f2bA:
undetectable		 4qa2B-3f2bA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		3 PRO A 394
MET A 396
TYR A 393
 None
 0.95A 4qa2B-3fr8A:
2.0		 4qa2B-3fr8A:
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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		3 PRO A 166
MET A 168
TYR A 165
 None
None
GOL  A 504 ( 4.9A)
 1.03A 4qa2B-3i1iA:
undetectable		 4qa2B-3i1iA:
19.40
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 139
MET A 138
TYR A 255
 None
 0.90A 4qa2B-3imlA:
undetectable		 4qa2B-3imlA:
21.60
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.
3ir8 LARGE STOKES SHIFT
FLUORESCENT PROTEIN

(Montipora sp.
20) 		PF01353
(GFP) 		3 PRO A 186
MET A 185
TYR A  78
 None
 0.81A 4qa2B-3ir8A:
undetectable		 4qa2B-3ir8A:
20.11
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.
3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR

(Homo sapiens) 		PF13621
(Cupin_8) 		3 PRO A 235
MET A 108
TYR A 103
 None
 0.91A 4qa2B-3kcxA:
undetectable		 4qa2B-3kcxA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l82 F-BOX ONLY PROTEIN 4

(Homo sapiens) 		no annotation 3 PRO B 340
MET B 339
TYR B 343
 None
 1.00A 4qa2B-3l82B:
undetectable		 4qa2B-3l82B:
22.68
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.
3mgf FLUORESCENT PROTEIN

(Verrillofungia
concinna) 		PF01353
(GFP) 		3 PRO A 190
MET A 189
TYR A  81
 None
 0.84A 4qa2B-3mgfA:
undetectable		 4qa2B-3mgfA:
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.
3pfi HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Campylobacter
jejuni) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		3 PRO A 125
MET A 127
TYR A 124
 None
 1.01A 4qa2B-3pfiA:
undetectable		 4qa2B-3pfiA:
23.00
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.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		3 PRO A  87
MET A  89
TYR A  86
 None
 0.77A 4qa2B-3rblA:
4.8		 4qa2B-3rblA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 151
MET A 150
TYR A 272
 None
 0.92A 4qa2B-3rv2A:
undetectable		 4qa2B-3rv2A:
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.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 138
MET A 137
TYR A 258
 None
 0.95A 4qa2B-3so4A:
undetectable		 4qa2B-3so4A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u3y THREE PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 3 PRO B 132
MET B 232
TYR B 129
 None
 1.02A 4qa2B-3u3yB:
undetectable		 4qa2B-3u3yB:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		3 PRO A 190
MET A 189
TYR A 220
 None
 0.98A 4qa2B-3vsmA:
undetectable		 4qa2B-3vsmA:
20.86
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.
3zo0 E3 UBIQUITIN-PROTEIN
LIGASE TRIM21

(Mus musculus) 		PF00622
(SPRY)
PF13765
(PRY) 		3 PRO B  51
MET B  52
TYR B  50
 None
 0.79A 4qa2B-3zo0B:
undetectable		 4qa2B-3zo0B:
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.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		3 PRO A  43
MET A  42
TYR A  46
 None
GSH  A1450 (-4.2A)
None
 0.84A 4qa2B-4agsA:
undetectable		 4qa2B-4agsA:
20.44
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		3 PRO A 673
MET A 672
TYR A 573
 None
 0.93A 4qa2B-4b9yA:
undetectable		 4qa2B-4b9yA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		3 PRO A 370
MET A 372
TYR A 369
 None
 0.82A 4qa2B-4bl3A:
undetectable		 4qa2B-4bl3A:
18.77
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 3 PRO A 455
MET A 456
TYR A 449
 None
 0.94A 4qa2B-4btgA:
undetectable		 4qa2B-4btgA:
19.67
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.
4by4 FI18190P1

(Drosophila
melanogaster) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		3 PRO A  61
MET A 131
TYR A  52
 None
 0.81A 4qa2B-4by4A:
undetectable		 4qa2B-4by4A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		3 PRO A 121
MET A 123
TYR A 120
 None
 1.04A 4qa2B-4g3jA:
undetectable		 4qa2B-4g3jA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gb3 COAT PROTEIN 2

(Enterovirus B) 		PF00073
(Rhv) 		3 PRO 2 205
MET 2 204
TYR 2  35
 None
 1.02A 4qa2B-4gb32:
undetectable		 4qa2B-4gb32:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		3 PRO L 125
MET L 127
TYR L 124
 None
 0.94A 4qa2B-4heaL:
undetectable		 4qa2B-4heaL:
19.06
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		3 PRO A  24
MET A  21
TYR A 130
 None
 0.97A 4qa2B-4j9uA:
undetectable		 4qa2B-4j9uA:
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.
4k5y CORTICOTROPIN-RELEAS
ING FACTOR RECEPTOR
1, T4-LYSOZYME
CHIMERIC CONSTRUCT

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		3 PRO A 275
MET A 276
TYR A 272
 None
 0.84A 4qa2B-4k5yA:
undetectable		 4qa2B-4k5yA:
23.86
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.
4kqb PROTEIN H03A11.1

(Caenorhabditis
elegans) 		PF06702
(Fam20C) 		3 PRO A 453
MET A 455
TYR A 452
 None
 1.04A 4qa2B-4kqbA:
undetectable		 4qa2B-4kqbA:
21.33
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.
4mrd CD44 ANTIGEN

(Mus musculus) 		PF00193
(Xlink) 		3 PRO A  65
MET A  70
TYR A 122
 None
 0.95A 4qa2B-4mrdA:
undetectable		 4qa2B-4mrdA:
16.80
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.
4nsq HISTONE
ACETYLTRANSFERASE
KAT2B

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		3 PRO A 530
MET A 529
TYR A 533
 None
 0.99A 4qa2B-4nsqA:
undetectable		 4qa2B-4nsqA:
18.21
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.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 156
MET A 155
TYR A 279
 None
 0.86A 4qa2B-4odjA:
undetectable		 4qa2B-4odjA:
21.44
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.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		3 PRO A 111
MET A 113
TYR A 110
 None
 0.98A 4qa2B-4q3lA:
undetectable		 4qa2B-4q3lA:
19.79
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF13407
(Peripla_BP_4) 		3 PRO A 180
MET A 182
TYR A 179
 None
 1.02A 4qa2B-4ry0A:
undetectable		 4qa2B-4ry0A:
22.67
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.
4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		3 PRO A 220
MET A 222
TYR A 219
 None
 0.96A 4qa2B-4s0vA:
undetectable		 4qa2B-4s0vA:
20.87
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.
4w9r UNCHARACTERIZED
PROTEIN

(Capnocytophaga
ochracea) 		PF00756
(Esterase) 		3 PRO A 331
MET A 330
TYR A 325
 None
None
GOL  A 502 ( 4.5A)
 0.84A 4qa2B-4w9rA:
2.4		 4qa2B-4w9rA:
24.21
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.
4yru NEURONAL CALCIUM
SENSOR 1

(Rattus
norvegicus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		3 PRO A  61
MET A 131
TYR A  52
 None
 1.04A 4qa2B-4yruA:
undetectable		 4qa2B-4yruA:
17.95
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.
4zb1 BLUE CHROMOPROTEIN,
SGBP

(Stichodactyla
gigantea) 		PF01353
(GFP) 		3 PRO A 189
MET A 188
TYR A  78
 None
 0.80A 4qa2B-4zb1A:
undetectable		 4qa2B-4zb1A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 151
MET A 150
TYR A 271
 None
 0.87A 4qa2B-5a1iA:
undetectable		 4qa2B-5a1iA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bql FLUORESCENT PROTEIN
CYOFP

(Escherichia
coli) 		PF01353
(GFP) 		3 PRO A 194
MET A 193
TYR A  83
 None
 0.82A 4qa2B-5bqlA:
undetectable		 4qa2B-5bqlA:
19.74
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.
5c1m NANOBODY 39

(Lama glama) 		PF07686
(V-set) 		3 PRO B  33
MET B  34
TYR B  32
 None
 1.01A 4qa2B-5c1mB:
undetectable		 4qa2B-5c1mB:
17.40
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		3 PRO A 122
MET A 124
TYR A 121
 None
 1.03A 4qa2B-5eawA:
4.9		 4qa2B-5eawA:
16.08
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.
5fcy RED CAROTENOID
PROTEIN (RCP)

(Nostoc sp. PCC
7120) 		PF09150
(Carot_N) 		3 PRO A 152
MET A 153
TYR A 149
 None
 0.85A 4qa2B-5fcyA:
undetectable		 4qa2B-5fcyA:
18.25
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 3 PRO C 147
MET C 146
TYR C 264
 None
 0.97A 4qa2B-5h9uC:
undetectable		 4qa2B-5h9uC:
22.89
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.
5lk4 MSCARLET

(Discosoma sp.) 		PF01353
(GFP) 		3 PRO A 191
MET A 190
TYR A  83
 None
PGE  A 303 (-3.6A)
None
 0.83A 4qa2B-5lk4A:
undetectable		 4qa2B-5lk4A:
23.69
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		3 PRO A1776
MET A1777
TYR A1773
 None
 0.87A 4qa2B-5lkiA:
undetectable		 4qa2B-5lkiA:
9.04
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.
5nt7 ATP-DEPENDENT RNA
HELICASE VASA,
ISOFORM A

(Drosophila
melanogaster) 		PF00271
(Helicase_C) 		3 PRO B 567
MET B 566
TYR B 573
 None
 1.04A 4qa2B-5nt7B:
4.2		 4qa2B-5nt7B:
19.10
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 PRO A 138
MET A 137
TYR A 256
 None
 0.94A 4qa2B-5t8tA:
undetectable		 4qa2B-5t8tA:
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.
5ub6 PHOSPHATE-BINDING
PROTEIN

(Xanthomonas
citri) 		no annotation 3 PRO A 159
MET A 160
TYR A 156
 None
 0.89A 4qa2B-5ub6A:
undetectable		 4qa2B-5ub6A:
10.91
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) 		3 PRO A 273
MET A 274
TYR A 306
 EDO  A 407 ( 3.6A)
EDO  A 407 (-4.1A)
EDO  A 407 ( 3.3A)
 0.46A 4qa2B-5vi6A:
64.1		 4qa2B-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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		3 PRO A 568
MET A 569
TYR A 358
 None
 0.99A 4qa2B-5xmcA:
undetectable		 4qa2B-5xmcA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 3 PRO A 208
MET A 209
TYR A 206
 None
None
MLI  A 703 (-4.3A)
 0.91A 4qa2B-6b3bA:
2.3		 4qa2B-6b3bA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 3 PRO B 152
MET B 154
TYR B 151
 None
 1.02A 4qa2B-6f3mB:
2.4		 4qa2B-6f3mB:
undetectable