SIMILAR PATTERNS OF AMINO ACIDS FOR 1V3Q_E_2DIE290_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		6 GLY A 137
GLU A 204
VAL A 220
GLY A 221
MET A 222
THR A 245
 8IG  A 306 (-3.3A)
8IG  A 306 (-2.8A)
8IG  A 306 (-4.6A)
8IG  A 306 (-3.4A)
8IG  A 306 (-4.0A)
8IG  A 306 (-3.0A)
 0.49A 1v3qE-1c3xA:
30.5		 1v3qE-1c3xA:
35.35
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 GLU A  81
VAL A 116
GLY A 115
ASN A 162
HIS A 271
 NAD  A 400 (-2.8A)
NAD  A 400 (-3.9A)
NAD  A 400 (-3.3A)
NAD  A 400 (-3.7A)
ZN  A 402 ( 3.1A)
 1.28A 1v3qE-1dqsA:
2.1		 1v3qE-1dqsA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 485
PHE B 387
GLY B 487
MET B 499
VAL B 483
 None
 1.01A 1v3qE-1ffvB:
undetectable		 1v3qE-1ffvB:
17.16
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		5 GLY A  11
GLU A  44
GLY A  19
THR A  39
VAL A  42
 HMH  A2001 (-3.6A)
HMH  A2001 (-3.0A)
HMH  A2001 ( 3.8A)
None
None
 1.29A 1v3qE-1jxiA:
2.5		 1v3qE-1jxiA:
19.56
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 PHE A 372
VAL A 331
GLY A 332
THR A 304
HIS A 357
 None
 1.03A 1v3qE-1mz5A:
undetectable		 1v3qE-1mz5A:
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.
1rvv RIBOFLAVIN SYNTHASE

(Bacillus
subtilis) 		no annotation 5 GLY A  20
VAL A  53
GLY A  55
THR A  27
VAL A  18
 None
None
INI  A 200 (-3.4A)
None
None
 1.28A 1v3qE-1rvvA:
3.0		 1v3qE-1rvvA:
21.38
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.
1tkl COPROPORPHYRINOGEN
III OXIDASE

(Saccharomyces
cerevisiae) 		PF01218
(Coprogen_oxidas) 		5 GLY A  53
GLU A  17
GLY A  51
THR A  43
VAL A  71
 None
 1.25A 1v3qE-1tklA:
undetectable		 1v3qE-1tklA:
21.35
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.
1u5k HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02565
(RecO_C)
PF11967
(RecO_N) 		5 GLY A  10
VAL A  56
GLY A  57
THR A  29
VAL A  12
 None
 0.93A 1v3qE-1u5kA:
undetectable		 1v3qE-1u5kA:
22.09
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.
1u7n FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Enterococcus
faecalis) 		PF02504
(FA_synthesis) 		5 VAL A  21
GLY A  20
THR A 308
VAL A   5
HIS A 297
 None
None
None
None
EOH  A 403 ( 4.1A)
 1.15A 1v3qE-1u7nA:
undetectable		 1v3qE-1u7nA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v4n 271AA LONG
HYPOTHETICAL
5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfurisphaera
tokodaii) 		PF01048
(PNP_UDP_1) 		5 GLY A  95
PHE A 171
GLY A 190
MET A 191
THR A 214
 None
 0.38A 1v3qE-1v4nA:
25.1		 1v3qE-1v4nA:
26.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vfn PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		9 GLY A 118
PHE A 200
GLU A 201
VAL A 217
GLY A 218
MET A 219
THR A 242
ASN A 243
HIS A 257
 HPA  A 300 (-3.6A)
HPA  A 300 (-4.7A)
HPA  A 300 ( 2.8A)
HPA  A 300 (-4.5A)
HPA  A 300 (-3.6A)
HPA  A 300 (-4.4A)
HPA  A 300 (-4.5A)
HPA  A 300 ( 2.9A)
None
 0.57A 1v3qE-1vfnA:
42.9		 1v3qE-1vfnA:
88.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vfn PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 GLY A 218
PHE A 200
GLU A 201
GLY A 197
HIS A 257
 HPA  A 300 (-3.6A)
HPA  A 300 (-4.7A)
HPA  A 300 ( 2.8A)
None
None
 1.18A 1v3qE-1vfnA:
42.9		 1v3qE-1vfnA:
88.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vfn PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 PHE A 200
GLU A 201
GLY A 197
VAL A 217
HIS A 257
 HPA  A 300 (-4.7A)
HPA  A 300 ( 2.8A)
None
HPA  A 300 (-4.5A)
None
 1.12A 1v3qE-1vfnA:
42.9		 1v3qE-1vfnA:
88.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		7 GLY A 113
GLU A 186
VAL A 202
GLY A 203
MET A 204
THR A 227
ASN A 228
 GUN  A 300 (-3.5A)
GUN  A 300 (-2.7A)
GUN  A 300 (-4.2A)
GUN  A 300 (-3.4A)
GUN  A 300 (-4.3A)
GUN  A 300 (-3.6A)
GUN  A 300 (-3.3A)
 0.30A 1v3qE-1vmkA:
34.3		 1v3qE-1vmkA:
42.95
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.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 GLY A  98
PHE A 175
GLY A 194
MET A 195
THR A 218
 ADE  A1300 (-3.5A)
ADE  A1300 (-4.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-4.4A)
ADE  A1300 (-4.3A)
 0.33A 1v3qE-1wtaA:
24.9		 1v3qE-1wtaA:
23.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		8 GLY A 119
PHE A 196
GLU A 197
VAL A 213
GLY A 214
MET A 215
THR A 238
ASN A 239
 GUN  A 400 (-3.5A)
None
GUN  A 400 (-2.8A)
GUN  A 400 ( 4.7A)
GUN  A 400 (-3.5A)
GUN  A 400 (-4.1A)
GUN  A 400 (-3.7A)
GUN  A 400 (-3.2A)
 0.45A 1v3qE-1yqqA:
36.2		 1v3qE-1yqqA:
42.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		8 GLY A 119
PHE A 196
GLU A 197
VAL A 213
GLY A 214
MET A 215
THR A 238
HIS A 251
 GUN  A 400 (-3.5A)
None
GUN  A 400 (-2.8A)
GUN  A 400 ( 4.7A)
GUN  A 400 (-3.5A)
GUN  A 400 (-4.1A)
GUN  A 400 (-3.7A)
None
 0.70A 1v3qE-1yqqA:
36.2		 1v3qE-1yqqA:
42.09
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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		5 GLY A 296
VAL A 299
GLY A 300
THR A 293
VAL A 229
 None
 1.15A 1v3qE-2c1cA:
7.1		 1v3qE-2c1cA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 GLY A 280
VAL A 287
THR A 355
ASN A 305
HIS A 299
 None
 1.29A 1v3qE-2e0xA:
undetectable		 1v3qE-2e0xA:
22.40
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		5 GLY A  68
THR A 145
ASN A 148
VAL A  72
HIS A  64
 NA  A 401 ( 4.6A)
None
None
None
None
 1.24A 1v3qE-2gezA:
undetectable		 1v3qE-2gezA:
24.07
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 GLY A 150
VAL A 149
GLY A 148
VAL A 152
HIS A 374
 None
 1.25A 1v3qE-2hg4A:
undetectable		 1v3qE-2hg4A:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		8 GLY A 203
PHE A 285
GLU A 286
GLY A 303
MET A 304
THR A 327
ASN A 328
HIS A 342
 DIH  A 401 (-3.4A)
DIH  A 401 (-4.6A)
DIH  A 401 (-2.8A)
DIH  A 401 (-3.4A)
DIH  A 401 (-3.5A)
DIH  A 401 (-4.2A)
DIH  A 401 (-3.1A)
DIH  A 401 (-3.6A)
 0.49A 1v3qE-2p4sA:
41.1		 1v3qE-2p4sA:
42.36
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.
2rkc HEMAGGLUTININ

(Measles
morbillivirus) 		PF00423
(HN) 		5 GLY A 229
VAL A 257
GLY A 258
MET A 272
THR A 221
 None
 1.30A 1v3qE-2rkcA:
undetectable		 1v3qE-2rkcA:
19.87
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.
2vri NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
NL63) 		PF01661
(Macro) 		5 GLY A  71
GLU A  34
VAL A  87
GLY A  88
HIS A  94
 None
 1.21A 1v3qE-2vriA:
undetectable		 1v3qE-2vriA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjz IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISH

(Thermotoga
maritima) 		PF00117
(GATase) 		5 VAL B  81
GLY B  82
MET B  87
VAL B 193
HIS B 178
 None
 1.23A 1v3qE-2wjzB:
undetectable		 1v3qE-2wjzB:
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.
2wl1 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 VAL A 659
GLY A 660
THR A 735
ASN A 733
VAL A 718
 None
 1.32A 1v3qE-2wl1A:
undetectable		 1v3qE-2wl1A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY S  43
PHE S  41
GLY S 193
THR S  54
VAL S  32
 None
 1.25A 1v3qE-2wpmS:
undetectable		 1v3qE-2wpmS:
21.67
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 214
VAL A 143
GLY A 142
THR A  89
VAL A 188
 None
None
None
CD  A1907 (-3.4A)
None
 1.29A 1v3qE-2x05A:
undetectable		 1v3qE-2x05A:
13.69
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Measles
morbillivirus;
Saguinus
oedipus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		5 GLY A 229
VAL A 257
GLY A 258
MET A 272
THR A 221
 None
 1.25A 1v3qE-3alxA:
undetectable		 1v3qE-3alxA:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		8 GLY A 120
GLU A 203
VAL A 219
GLY A 220
MET A 221
THR A 244
ASN A 245
HIS A 259
 6GU  A 704 (-2.9A)
6GU  A 704 (-2.4A)
6GU  A 704 ( 4.3A)
6GU  A 704 (-3.4A)
6GU  A 704 (-3.7A)
6GU  A 704 (-3.7A)
6GU  A 704 (-2.7A)
None
 0.51A 1v3qE-3e9zA:
41.2		 1v3qE-3e9zA:
48.62
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.
3him PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 GLY A 169
VAL A 172
THR A 166
VAL A 101
HIS A  72
 None
 1.28A 1v3qE-3himA:
undetectable		 1v3qE-3himA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hr8 PROTEIN RECA

(Thermotoga
maritima) 		PF00154
(RecA) 		5 GLY A  57
VAL A  55
GLY A  54
THR A  44
VAL A  41
 None
 1.31A 1v3qE-3hr8A:
undetectable		 1v3qE-3hr8A:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		7 GLY A 122
GLU A 189
VAL A 205
GLY A 206
MET A 207
THR A 230
ASN A 231
 GNG  A 800 (-3.6A)
GNG  A 800 (-2.9A)
GNG  A 800 (-4.4A)
GNG  A 800 (-3.6A)
GNG  A 800 (-3.4A)
GNG  A 800 (-3.9A)
GNG  A 800 (-2.8A)
 0.37A 1v3qE-3iomA:
33.3		 1v3qE-3iomA:
38.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		7 GLY A 122
GLU A 189
VAL A 205
GLY A 206
THR A 230
ASN A 231
HIS A 243
 GNG  A 800 (-3.6A)
GNG  A 800 (-2.9A)
GNG  A 800 (-4.4A)
GNG  A 800 (-3.6A)
GNG  A 800 (-3.9A)
GNG  A 800 (-2.8A)
GNG  A 800 (-3.3A)
 0.59A 1v3qE-3iomA:
33.3		 1v3qE-3iomA:
38.00
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		5 GLY A 235
VAL A 236
GLY A 237
MET A 238
THR A 128
 None
None
None
None
NAD  A 400 (-2.7A)
 1.08A 1v3qE-3jzdA:
undetectable		 1v3qE-3jzdA:
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 GLY A 415
VAL A 412
GLY A 411
ASN A 387
VAL A 397
 None
 1.22A 1v3qE-3ka7A:
undetectable		 1v3qE-3ka7A:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		7 GLY A 115
PHE A 197
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 None
TRS  A 294 (-4.9A)
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.43A 1v3qE-3khsA:
37.5		 1v3qE-3khsA:
49.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 GLY A 215
PHE A 197
GLU A 198
VAL A 192
GLY A 194
 TRS  A 294 ( 3.9A)
TRS  A 294 (-4.9A)
None
None
None
 1.18A 1v3qE-3khsA:
37.5		 1v3qE-3khsA:
49.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 GLY A 154
VAL A 155
GLY A 156
THR A  39
VAL A  86
 None
 1.32A 1v3qE-3l2zA:
undetectable		 1v3qE-3l2zA:
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 140
PHE A 189
GLY A 158
THR A 118
VAL A 155
 None
 1.24A 1v3qE-3mogA:
undetectable		 1v3qE-3mogA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		9 GLY A 127
PHE A 204
GLU A 205
VAL A 221
GLY A 222
MET A 223
THR A 246
ASN A 247
HIS A 259
 XAN  A 288 (-3.5A)
None
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.8A)
XAN  A 288 (-3.0A)
None
 0.68A 1v3qE-3odgA:
36.8		 1v3qE-3odgA:
40.59
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.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		5 GLY A  47
VAL A 102
GLY A 103
MET A 104
ASN A  75
 MLY  A  45 ( 3.8A)
None
None
None
None
 1.13A 1v3qE-3oixA:
undetectable		 1v3qE-3oixA:
20.16
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		6 GLY A 102
GLU A 181
VAL A 197
GLY A 198
MET A 199
ASN A 223
 HPA  A 260 (-3.7A)
HPA  A 260 (-2.9A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.3A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.0A)
 0.32A 1v3qE-3ozbA:
24.2		 1v3qE-3ozbA:
25.57
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		5 VAL A 235
GLY A 232
ASN A 265
VAL A 126
HIS A 227
 None
 1.32A 1v3qE-3pm0A:
undetectable		 1v3qE-3pm0A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ro8 ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
sp. JDR-2) 		PF00331
(Glyco_hydro_10) 		5 GLY A 228
VAL A 229
GLY A 230
MET A 231
VAL A 256
 None
 1.09A 1v3qE-3ro8A:
undetectable		 1v3qE-3ro8A:
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 GLY A  94
PHE A 170
GLY A 189
MET A 190
THR A 213
 MTA  A 901 (-3.6A)
MTA  A 901 (-4.9A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.7A)
 0.39A 1v3qE-3t94A:
26.1		 1v3qE-3t94A:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 GLY A 494
VAL A 439
GLY A 438
THR A 405
VAL A 477
 None
 1.13A 1v3qE-3thcA:
undetectable		 1v3qE-3thcA:
17.57
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.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Coxiella
burnetii) 		PF00275
(EPSP_synthase) 		5 GLY A  76
VAL A  77
GLY A  78
MET A  79
THR A  38
 None
 1.32A 1v3qE-3tr1A:
undetectable		 1v3qE-3tr1A:
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 GLY A 318
PHE A 308
VAL A 291
GLY A 292
VAL A 311
 None
 1.26A 1v3qE-3vupA:
undetectable		 1v3qE-3vupA:
20.38
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.
3vzq ACETOACETYL-COA
REDUCTASE

(Cupriavidus
necator) 		PF00106
(adh_short) 		5 GLY A  33
PHE A  72
GLY A  60
THR A   9
VAL A  31
 None
 1.20A 1v3qE-3vzqA:
2.6		 1v3qE-3vzqA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		5 GLY A 237
VAL A 238
GLY A 239
MET A 240
VAL A 265
 None
 1.16A 1v3qE-3wufA:
undetectable		 1v3qE-3wufA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		5 GLU A  87
VAL A 120
GLY A 119
ASN A 166
HIS A 261
 NAD  A1381 (-3.2A)
NAD  A1381 (-3.8A)
NAD  A1381 (-3.1A)
PO4  A1379 ( 3.6A)
PO4  A1379 ( 4.3A)
 1.15A 1v3qE-3zokA:
undetectable		 1v3qE-3zokA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 111
GLU A 128
GLY A  62
THR A 156
VAL A 113
 None
 1.03A 1v3qE-3zz1A:
undetectable		 1v3qE-3zz1A:
17.41
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.
4bok ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03663
(Glyco_hydro_76) 		5 GLY A 250
VAL A 253
GLY A 254
THR A 247
ASN A 305
 None
 1.27A 1v3qE-4bokA:
undetectable		 1v3qE-4bokA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		5 GLY A  92
PHE A 159
VAL A 177
MET A 179
VAL A 205
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.0A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
ADE  A 301 (-4.3A)
 0.76A 1v3qE-4daoA:
19.7		 1v3qE-4daoA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		5 GLY A 100
PHE A 179
GLY A 197
MET A 198
THR A 221
 None
 0.29A 1v3qE-4glfA:
23.2		 1v3qE-4glfA:
28.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		6 GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
THR A 233
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-4.3A)
 0.26A 1v3qE-4lnaA:
38.5		 1v3qE-4lnaA:
46.39
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.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE

(Plasmodium
falciparum) 		PF00082
(Peptidase_S8) 		5 GLY A 440
VAL A 451
GLY A 448
ASN A 441
HIS A 334
 CA  A 701 ( 4.4A)
None
None
None
None
 1.26A 1v3qE-4lvoA:
undetectable		 1v3qE-4lvoA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		6 GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
THR A 235
 ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-4.3A)
 0.23A 1v3qE-4m1eA:
39.8		 1v3qE-4m1eA:
45.91
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.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLY A 500
GLU A 197
VAL A 505
GLY A 504
VAL A 498
 None
 1.10A 1v3qE-4nbqA:
undetectable		 1v3qE-4nbqA:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		6 GLY A 131
GLU A 208
GLY A 225
MET A 226
THR A 249
ASN A 250
 DA  A 301 (-3.4A)
DA  A 301 (-2.7A)
DA  A 301 (-3.5A)
DA  A 301 (-4.0A)
DA  A 301 (-4.1A)
DA  A 301 (-3.0A)
 0.39A 1v3qE-4ns1A:
38.5		 1v3qE-4ns1A:
45.39
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 GLY A 106
VAL A 297
GLY A 298
VAL A 104
HIS A  42
 None
None
FAD  A 601 (-3.0A)
None
None
 1.20A 1v3qE-4nwzA:
undetectable		 1v3qE-4nwzA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 GLY A 323
PHE A 342
VAL A 297
GLY A 298
VAL A 326
 None
None
None
FAD  A 601 (-3.0A)
None
 1.20A 1v3qE-4nwzA:
undetectable		 1v3qE-4nwzA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		5 GLU A 101
VAL A 135
GLY A 134
ASN A 181
HIS A 284
 NAI  A 502 (-2.8A)
NAI  A 502 (-3.6A)
NAI  A 502 (-3.1A)
NAI  A 502 (-3.7A)
ZN  A 501 (-3.3A)
 1.29A 1v3qE-4p53A:
2.7		 1v3qE-4p53A:
21.11
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.
4paf TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 GLY A 239
PHE A 144
VAL A 142
GLY A 141
VAL A 265
 None
 1.27A 1v3qE-4pafA:
undetectable		 1v3qE-4pafA:
20.99
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.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 GLY A 227
VAL A 228
GLY A 229
MET A 230
VAL A 256
 None
 1.14A 1v3qE-4pmuA:
undetectable		 1v3qE-4pmuA:
21.68
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.
4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF01648
(ACPS)
PF13416
(SBP_bac_8) 		5 GLY A 460
VAL A 482
GLY A 483
VAL A 473
HIS A 464
 None
None
None
None
COA  A 602 (-3.6A)
 1.22A 1v3qE-4qvhA:
undetectable		 1v3qE-4qvhA:
20.55
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.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		5 GLY A 125
PHE A 114
VAL A 123
GLY A  58
VAL A 147
 None
 1.14A 1v3qE-4rdcA:
undetectable		 1v3qE-4rdcA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		8 GLY A 110
PHE A 184
GLU A 185
VAL A 201
GLY A 202
MET A 203
THR A 226
ASN A 227
 HPA  A 301 (-3.5A)
None
HPA  A 301 (-2.9A)
HPA  A 301 (-4.9A)
HPA  A 301 (-3.6A)
HPA  A 301 (-4.4A)
HPA  A 301 (-4.2A)
HPA  A 301 (-3.0A)
 0.54A 1v3qE-4uc0A:
32.9		 1v3qE-4uc0A:
40.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  39
PHE A  72
VAL A  58
THR A  15
VAL A  37
 None
 1.23A 1v3qE-4wecA:
3.0		 1v3qE-4wecA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 GLY A 388
VAL A 389
GLY A 390
MET A 391
THR A 351
 None
 1.24A 1v3qE-5bs5A:
undetectable		 1v3qE-5bs5A:
20.31
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 GLY A 291
PHE A 327
VAL A 292
GLY A  32
VAL A 284
 None
 1.16A 1v3qE-5bwiA:
undetectable		 1v3qE-5bwiA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A  90
PHE A 187
VAL A 204
MET A 206
THR A 229
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.8A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
ADE  A 301 (-4.3A)
 0.29A 1v3qE-5f7oA:
23.0		 1v3qE-5f7oA:
26.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h98 GEOBACTER
METALLIREDUCENS
SMUG1

(Geobacter
metallireducens) 		no annotation 5 GLY A 185
VAL A  55
GLY A  56
MET A  57
VAL A 183
 None
 1.13A 1v3qE-5h98A:
undetectable		 1v3qE-5h98A:
23.39
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.
5hr6 RLMN METHYLASE

(Escherichia
coli) 		PF04055
(Radical_SAM) 		5 GLU A 147
VAL A  99
GLY A 100
ASN A 140
VAL A 123
 None
 1.28A 1v3qE-5hr6A:
undetectable		 1v3qE-5hr6A:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		9 GLY A 131
PHE A 213
GLU A 214
VAL A 230
GLY A 231
MET A 232
THR A 255
ASN A 256
HIS A 281
 HPA  A 401 (-3.5A)
HPA  A 401 (-4.9A)
HPA  A 401 (-2.7A)
HPA  A 401 (-4.5A)
HPA  A 401 (-3.5A)
HPA  A 401 ( 4.3A)
HPA  A 401 (-4.0A)
HPA  A 401 (-2.9A)
None
 0.54A 1v3qE-5ifkA:
38.3		 1v3qE-5ifkA:
44.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		5 GLY A 231
PHE A 213
GLU A 214
GLY A 210
HIS A 281
 HPA  A 401 (-3.5A)
HPA  A 401 (-4.9A)
HPA  A 401 (-2.7A)
None
None
 1.27A 1v3qE-5ifkA:
38.3		 1v3qE-5ifkA:
44.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A 234
GLY A 232
MET A 231
THR A 237
ASN A  26
 None
 1.20A 1v3qE-5jc8A:
2.4		 1v3qE-5jc8A:
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.
5k5f HELICASE-LIKE
TRANSCRIPTION FACTOR

(Homo sapiens) 		PF08797
(HIRAN) 		5 VAL A  83
GLY A 132
MET A 148
ASN A 139
HIS A  66
 None
 1.22A 1v3qE-5k5fA:
undetectable		 1v3qE-5k5fA:
18.22
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.
5k5f HELICASE-LIKE
TRANSCRIPTION FACTOR

(Homo sapiens) 		PF08797
(HIRAN) 		5 VAL A  83
GLY A 132
MET A 148
VAL A 108
HIS A  66
 None
 1.28A 1v3qE-5k5fA:
undetectable		 1v3qE-5k5fA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLU A 203
VAL A 219
GLY A 220
MET A 221
HIS A 259
 CYT  A 301 (-2.9A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
 0.89A 1v3qE-5ko5A:
40.4		 1v3qE-5ko5A:
46.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A 120
VAL A 219
GLY A 220
MET A 221
ASN A 245
 CYT  A 301 (-3.3A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
CYT  A 301 (-3.2A)
 0.41A 1v3qE-5ko5A:
40.4		 1v3qE-5ko5A:
46.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A 120
VAL A 219
GLY A 220
MET A 221
HIS A 259
 CYT  A 301 (-3.3A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
 0.36A 1v3qE-5ko5A:
40.4		 1v3qE-5ko5A:
46.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlc 50S RIBOSOMAL
PROTEIN L27,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01016
(Ribosomal_L27) 		5 GLY X 104
VAL X 107
GLY X 108
VAL X 135
HIS X 113
 None
None
None
None
U  A2403 ( 4.5A)
 1.33A 1v3qE-5mlcX:
undetectable		 1v3qE-5mlcX:
18.86
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 366
PHE A 411
GLY A 362
THR A 369
VAL A 414
 None
 1.24A 1v3qE-5oasA:
undetectable		 1v3qE-5oasA:
17.33
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		5 GLY A 298
PHE A 290
GLY A 264
THR A 287
HIS A 260
 None
EDO  A 502 (-4.3A)
None
BTB  A 501 (-4.1A)
EDO  A 502 (-3.8A)
 1.33A 1v3qE-5u22A:
undetectable		 1v3qE-5u22A:
18.46
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.
5uc0 UNCHARACTERIZED
PROTEIN COG5400

(Brucella
abortus) 		PF06577
(DUF1134) 		5 GLY A 158
VAL A 182
GLY A 181
THR A 174
VAL A 153
 None
 1.33A 1v3qE-5uc0A:
undetectable		 1v3qE-5uc0A:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		10 GLY A 118
PHE A 200
GLU A 201
VAL A 217
GLY A 218
MET A 219
THR A 242
ASN A 243
VAL A 245
HIS A 257
 IM5  A 308 (-3.7A)
IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.4A)
IM5  A 308 (-3.5A)
IM5  A 308 (-4.3A)
IM5  A 308 (-3.1A)
IM5  A 308 ( 4.5A)
IM5  A 308 (-3.6A)
 0.43A 1v3qE-5ugfA:
44.8		 1v3qE-5ugfA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLY A 119
GLU A 201
VAL A 217
ASN A 243
VAL A 245
 None
IM5  A 308 (-2.9A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.1A)
IM5  A 308 ( 4.5A)
 1.32A 1v3qE-5ugfA:
44.8		 1v3qE-5ugfA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLY A 218
PHE A 200
GLU A 201
GLY A 197
HIS A 257
 IM5  A 308 (-3.4A)
IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
None
IM5  A 308 (-3.6A)
 1.24A 1v3qE-5ugfA:
44.8		 1v3qE-5ugfA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 PHE A 200
GLU A 201
VAL A 245
GLY A 118
HIS A 257
 IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
IM5  A 308 ( 4.5A)
IM5  A 308 (-3.7A)
IM5  A 308 (-3.6A)
 1.11A 1v3qE-5ugfA:
44.8		 1v3qE-5ugfA:
99.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ui3 DIHYDRODIPICOLINATE
SYNTHASE

(Chlamydomonas
reinhardtii) 		no annotation 5 GLY D 115
VAL D 118
GLY D 119
THR D 112
VAL D  80
 None
 1.21A 1v3qE-5ui3D:
undetectable		 1v3qE-5ui3D:
13.99
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.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10) 		no annotation 5 GLY A 406
VAL A 388
GLY A 390
THR A 426
VAL A 404
 None
 1.30A 1v3qE-5uytA:
undetectable		 1v3qE-5uytA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 GLY A 598
PHE A 571
VAL A 601
GLY A 602
VAL A 543
 None
 0.91A 1v3qE-5weoA:
undetectable		 1v3qE-5weoA:
15.74
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 5 GLY A 237
PHE A 177
VAL A 299
GLY A 300
MET A 301
 None
 1.32A 1v3qE-5yknA:
undetectable		 1v3qE-5yknA:
14.74
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 5 GLY A  58
VAL A  45
GLY A  44
ASN A  32
VAL A  29
 None
 1.23A 1v3qE-6d47A:
undetectable		 1v3qE-6d47A:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 GLY A 499
PHE A 529
GLU A 199
GLY A 503
VAL A 497
 None
 1.33A 1v3qE-6d6kA:
undetectable		 1v3qE-6d6kA:
14.58
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.
6fhe -

(-) 		no annotation 5 GLY A 226
VAL A 227
GLY A 228
MET A 229
VAL A 255
 None
 1.11A 1v3qE-6fheA:
undetectable		 1v3qE-6fheA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhe -

(-) 		no annotation 5 VAL A 227
GLY A 228
MET A 229
THR A 297
VAL A 255
 None
 1.24A 1v3qE-6fheA:
undetectable		 1v3qE-6fheA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gy5 -

(-) 		no annotation 5 GLY A 407
VAL A 418
GLY A 419
VAL A 455
HIS A 499
 None
None
None
None
NA  A 718 ( 4.9A)
 0.96A 1v3qE-6gy5A:
undetectable		 1v3qE-6gy5A:
undetectable