SIMILAR PATTERNS OF AMINO ACIDS FOR 3A25_A_SAMA279

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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		5 ASN A 171
GLY A 203
HIS A 176
ILE A 214
ASP A 224
 None
 1.26A 3a25A-1bheA:
undetectable		 3a25A-1bheA:
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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		5 GLY A 203
HIS A 176
ILE A 214
ASP A 224
ASN A 245
 None
 1.41A 3a25A-1bheA:
undetectable		 3a25A-1bheA:
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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 PHE A 297
GLY A 318
LYS A 327
ASP A 326
THR A 320
 None
 1.26A 3a25A-1ck7A:
undetectable		 3a25A-1ck7A:
18.07
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.
1eak 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 PHE A 297
GLY A 318
LYS A 327
ASP A 326
THR A 320
 None
 1.33A 3a25A-1eakA:
undetectable		 3a25A-1eakA:
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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 ASN A 660
ARG A 232
GLY A 179
ILE A 177
ASN A 188
 None
 1.40A 3a25A-1g8xA:
undetectable		 3a25A-1g8xA:
14.60
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 SER A 273
ASN A 279
ILE A 373
ASP A 378
ASN A 359
 None
 1.40A 3a25A-1kb0A:
undetectable		 3a25A-1kb0A:
15.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kyq SIROHEME
BIOSYNTHESIS PROTEIN
MET8

(Saccharomyces
cerevisiae) 		PF13241
(NAD_binding_7)
PF14823
(Sirohm_synth_C)
PF14824
(Sirohm_synth_M) 		5 ASN A 138
ARG A  28
PHE A  93
GLY A  20
ILE A  89
 None
None
None
NAD  A 800 (-3.5A)
None
 1.42A 3a25A-1kyqA:
5.5		 3a25A-1kyqA:
21.64
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.
1m76 3-HYDROXYACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ASN A 272
GLY A 204
ILE A 206
LYS A 200
ASP A 201
 None
 1.44A 3a25A-1m76A:
7.0		 3a25A-1m76A:
22.92
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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 SER A 507
ASN A 452
GLY A 471
HIS A 472
ILE A 464
 None
 1.40A 3a25A-1n7rA:
undetectable		 3a25A-1n7rA:
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 ARG A 124
PHE A  94
GLY A  96
ASP A 383
PHE A 373
 HEM  A 500 (-4.0A)
None
None
None
None
 1.43A 3a25A-1nr6A:
undetectable		 3a25A-1nr6A:
22.62
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 SER A 439
PHE A 554
ASP A 325
THR A 328
PHE A 549
 None
 1.40A 3a25A-1ot5A:
undetectable		 3a25A-1ot5A:
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 SER E 163
ILE E 192
ASP E 215
THR E  33
PHE E 260
 None
None
HH0  E 327 (-2.5A)
None
None
 1.29A 3a25A-1qrpE:
undetectable		 3a25A-1qrpE:
19.77
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.
1to9 THI-4 PROTEIN

(Bacillus
subtilis) 		PF03070
(TENA_THI-4) 		5 SER B  18
PHE B  37
GLY B  26
ILE B  34
PHE B  89
 None
 1.46A 3a25A-1to9B:
undetectable		 3a25A-1to9B:
22.55
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.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		5 PHE A 206
GLY A  44
ILE A  86
THR A  35
PHE A  69
 None
 1.48A 3a25A-1v6mA:
undetectable		 3a25A-1v6mA:
23.32
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.
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		no annotation 5 SER B 305
ASN B 303
GLY B 542
ASP B 523
PHE B 418
 None
None
None
None
ADX  B2700 (-4.3A)
 1.45A 3a25A-1xnjB:
undetectable		 3a25A-1xnjB:
20.19
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		5 ARG A 273
GLY A 502
ILE A 325
ASP A 506
ASN A 329
 None
 1.12A 3a25A-2cxnA:
undetectable		 3a25A-2cxnA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 GLY A 226
ILE A 207
THR A 248
ASN A 205
PHE A  60
 None
 1.44A 3a25A-2ek8A:
undetectable		 3a25A-2ek8A:
23.31
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 ASN A 751
ARG A 774
GLY A 733
ILE A 808
ASP A 622
 None
 1.44A 3a25A-2gahA:
4.2		 3a25A-2gahA:
16.40
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.
2ksb SUBSTANCE-P RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 ARG A 340
GLY A 315
HIS A 318
ILE A  57
ASN A  68
 None
 1.35A 3a25A-2ksbA:
undetectable		 3a25A-2ksbA:
20.53
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.
2mfq FIBROBLAST GROWTH
FACTOR RECEPTOR
SUBSTRATE 2

(Homo sapiens) 		PF02174
(IRS) 		5 ARG A  79
PHE A  74
GLY A  77
ILE A  86
PHE A  72
 None
None
PTR  B 512 ( 3.1A)
None
None
 1.48A 3a25A-2mfqA:
undetectable		 3a25A-2mfqA:
17.92
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.
2nul PEPTIDYLPROLYL
ISOMERASE

(Escherichia
coli) 		PF00160
(Pro_isomerase) 		5 PHE A  99
GLY A  52
HIS A  42
ILE A 100
ASN A 101
 None
 1.35A 3a25A-2nulA:
undetectable		 3a25A-2nulA:
19.49
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.
2nwb CONSERVED DOMAIN
PROTEIN

(Shewanella
oneidensis) 		PF08933
(DUF1864) 		5 ASN A  80
HIS A 128
ILE A 160
ASN A 156
PHE A 152
 None
None
HEM  A 401 ( 4.8A)
HEM  A 401 (-4.2A)
HEM  A 401 (-4.8A)
 1.40A 3a25A-2nwbA:
undetectable		 3a25A-2nwbA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjf BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 SER A 305
ASN A 303
GLY A 542
ASP A 523
PHE A 418
 None
None
None
None
ADX  A 100 (-4.3A)
 1.35A 3a25A-2qjfA:
undetectable		 3a25A-2qjfA:
21.05
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.
2qlv NUCLEAR PROTEIN SNF4

(Saccharomyces
cerevisiae) 		PF00571
(CBS) 		5 SER C 221
ARG C 294
GLY C 306
ASP C 197
ASN C 192
 None
 1.46A 3a25A-2qlvC:
undetectable		 3a25A-2qlvC:
22.57
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 ASN A 526
GLY A 485
ILE A 476
ASP A 440
PHE A 517
 None
 1.47A 3a25A-2v5iA:
undetectable		 3a25A-2v5iA:
19.35
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 SER A 725
ASN A 726
GLY A 589
HIS A 721
ILE A 638
 None
 1.45A 3a25A-2vsaA:
undetectable		 3a25A-2vsaA:
15.28
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.
2w1p AQUAPORIN PIP2-7
7


(Komagataella
pastoris) 		PF00230
(MIP) 		5 SER A  38
ASN A  43
ARG A 129
GLY A 108
ILE A 102
 BOG  A1277 (-4.7A)
None
None
None
None
 1.34A 3a25A-2w1pA:
undetectable		 3a25A-2w1pA:
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.
2x18 RAC-GAMMA
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00169
(PH) 		5 ARG A 108
PHE A  35
GLY A  33
ILE A  36
PHE A  87
 None
 1.41A 3a25A-2x18A:
undetectable		 3a25A-2x18A:
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ARG A 354
GLY A 328
HIS A 368
THR A 309
ASN A 185
 None
None
None
GOL  A1433 (-3.7A)
None
 1.45A 3a25A-2xtsA:
undetectable		 3a25A-2xtsA:
22.41
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.
2xty QNRB1

(Klebsiella
pneumoniae) 		PF00805
(Pentapeptide)
PF13599
(Pentapeptide_4) 		5 PHE A  56
GLY A  32
ILE A  10
ASP A  34
PHE A  45
 None
 1.12A 3a25A-2xtyA:
undetectable		 3a25A-2xtyA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ymo PF12

(Plasmodium
falciparum) 		PF07422
(s48_45) 		5 ASN A 258
ARG A 271
PHE A 268
GLY A 222
ASP A 180
 None
 1.49A 3a25A-2ymoA:
undetectable		 3a25A-2ymoA:
22.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		6 PHE A 104
GLY A 106
ILE A 126
LYS A 128
ASN A 155
PHE A 178
 SAM  A 250 (-4.7A)
SAM  A 250 (-3.6A)
None
SAM  A 250 (-3.5A)
SAM  A 250 (-3.6A)
SAM  A 250 (-4.6A)
 0.67A 3a25A-3a27A:
31.1		 3a25A-3a27A:
44.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		8 SER A  80
ASN A  83
ARG A  87
PHE A 104
GLY A 106
ILE A 126
ASN A 155
PHE A 178
 SAM  A 250 (-4.3A)
SAM  A 250 (-3.8A)
SAM  A 250 (-4.7A)
SAM  A 250 (-4.7A)
SAM  A 250 (-3.6A)
None
SAM  A 250 (-3.6A)
SAM  A 250 (-4.6A)
 0.57A 3a25A-3a27A:
31.1		 3a25A-3a27A:
44.44
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.
3a2e GINKBILOBIN-2

(Ginkgo biloba) 		PF01657
(Stress-antifung) 		5 GLY A  58
ILE A 101
ASP A  31
THR A  45
PHE A  83
 None
 1.22A 3a25A-3a2eA:
undetectable		 3a25A-3a2eA:
16.39
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.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 SER A  24
ARG A 413
GLY A 324
ILE A 295
ASN A 294
 None
 1.47A 3a25A-3al8A:
undetectable		 3a25A-3al8A:
21.50
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1

(Mycobacterium
tuberculosis) 		PF00464
(SHMT) 		5 SER A 222
ASN A  99
ILE A  30
THR A 228
ASN A 345
 None
LLP  A 227 ( 4.7A)
None
LLP  A 227 ( 4.1A)
None
 1.12A 3a25A-3h7fA:
4.0		 3a25A-3h7fA:
26.67
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ASN A1568
PHE A1357
GLY A1344
HIS A1345
ASP A1504
 None
None
None
HC8  A4000 (-3.5A)
None
 1.05A 3a25A-3hrrA:
undetectable		 3a25A-3hrrA:
23.43
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.
3ihl CTP SYNTHASE 2

(Homo sapiens) 		PF06418
(CTP_synth_N) 		5 ARG A 217
GLY A   9
ASP A 153
THR A 150
ASN A 199
 ADP  A 300 (-3.5A)
None
None
None
None
 1.33A 3a25A-3ihlA:
2.2		 3a25A-3ihlA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3itd 17BETA-HYDROXYSTEROI
D DEHYDROGENASE

(Curvularia
lunata) 		PF13561
(adh_short_C2) 		5 SER A 170
ASN A 127
ASP A 266
THR A 264
PHE A 205
 None
 1.32A 3a25A-3itdA:
6.9		 3a25A-3itdA:
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.
3jqy POLYSIALIC ACID
O-ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 5 ARG B  87
GLY B 109
HIS B  89
ILE B 135
ASP B 132
 None
 1.36A 3a25A-3jqyB:
undetectable		 3a25A-3jqyB:
20.62
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.
3jqy POLYSIALIC ACID
O-ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 5 ARG B  87
GLY B 109
HIS B  89
ILE B 166
ASP B 132
 None
 1.46A 3a25A-3jqyB:
undetectable		 3a25A-3jqyB:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		12 SER A 109
ASN A 112
ARG A 116
PHE A 133
GLY A 135
HIS A 138
ILE A 154
LYS A 156
ASP A 157
THR A 160
ASN A 184
PHE A 207
 None
 0.48A 3a25A-3k6rA:
38.4		 3a25A-3k6rA:
92.36
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.
3m5u PHOSPHOSERINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00266
(Aminotran_5) 		5 ASN A 294
PHE A 309
GLY A 329
ILE A 299
PHE A 349
 None
 1.43A 3a25A-3m5uA:
2.6		 3a25A-3m5uA:
24.39
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 ASN A   9
ARG A  11
PHE A 330
ASP A 407
PHE A 391
 None
 1.39A 3a25A-3nztA:
undetectable		 3a25A-3nztA:
23.15
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.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		5 SER A 232
PHE A 321
GLY A 296
HIS A 295
THR A 301
 CLJ  A 394 ( 4.2A)
None
None
TYD  A 393 (-3.9A)
None
 1.50A 3a25A-3othA:
4.4		 3a25A-3othA:
23.15
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.
3s6m PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00160
(Pro_isomerase) 		5 PHE A  99
GLY A  52
HIS A  42
ILE A 100
ASN A 101
 EDO  A 164 (-3.5A)
None
None
None
None
 1.41A 3a25A-3s6mA:
undetectable		 3a25A-3s6mA:
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.
3t1u PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Azotobacter
vinelandii) 		PF00160
(Pro_isomerase) 		5 PHE A  99
GLY A  52
HIS A  42
ILE A 100
ASN A 101
 None
 1.42A 3a25A-3t1uA:
undetectable		 3a25A-3t1uA:
17.91
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.
3tqq METHIONYL-TRNA
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 PHE A 298
GLY A 270
HIS A 283
ASP A 265
PHE A 239
 None
 1.48A 3a25A-3tqqA:
undetectable		 3a25A-3tqqA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 ASN A 391
ILE A 412
LYS A 414
ASP A 415
THR A 418
 None
 0.88A 3a25A-3ty7A:
4.7		 3a25A-3ty7A:
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.
3uw0 PECTINESTERASE

(Yersinia
enterocolitica) 		PF01095
(Pectinesterase) 		5 ARG A 219
GLY A 196
HIS A 197
THR A 178
PHE A 288
 None
 1.49A 3a25A-3uw0A:
undetectable		 3a25A-3uw0A:
22.85
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 SER A 505
HIS A 501
ILE A 459
THR A 484
ASN A 464
 None
 1.02A 3a25A-3v9fA:
undetectable		 3a25A-3v9fA:
16.84
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.
3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		5 PHE A  84
GLY A 109
ILE A 162
ASP A 107
THR A 111
 None
 1.33A 3a25A-3wr7A:
undetectable		 3a25A-3wr7A:
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 SER A 649
GLY A 345
ILE A 397
THR A 363
PHE A 498
 None
 1.37A 3a25A-4bl3A:
undetectable		 3a25A-4bl3A:
19.28
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.
4hw8 BACTERIAL
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, PUTATIVE

(Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		5 ASN A 371
PHE A 101
GLY A 307
ILE A 100
ASP A  51
 None
 1.45A 3a25A-4hw8A:
undetectable		 3a25A-4hw8A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 SER B 418
ASN B 414
PHE B 383
GLY B 468
ILE B 486
 None
 1.45A 3a25A-4hxeB:
undetectable		 3a25A-4hxeB:
19.81
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.
4inq OXYSTEROL-BINDING
PROTEIN HOMOLOG 3

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		5 SER A 703
LYS A 789
ASP A 758
THR A 688
PHE A 753
 None
 1.40A 3a25A-4inqA:
undetectable		 3a25A-4inqA:
21.87
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.
4maf ATP SULFURYLASE

(Glycine max) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 SER A 130
ASN A 128
GLY A 369
ASP A 350
PHE A 245
 None
None
None
None
ADX  A 900 (-4.4A)
 1.28A 3a25A-4mafA:
undetectable		 3a25A-4mafA:
21.72
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 372
ASN A 400
GLY A 363
ILE A 379
PHE A 332
 None
 1.43A 3a25A-4mjuA:
undetectable		 3a25A-4mjuA:
19.04
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.
4ofz TREHALOSE-PHOSPHATAS
E

(Brugia malayi) 		no annotation 5 PHE A 197
GLY A 417
ILE A 209
LYS A 207
THR A 204
 None
 1.42A 3a25A-4ofzA:
undetectable		 3a25A-4ofzA:
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.
4okm TERPENE SYNTHASE
METAL-BINDING
DOMAIN-CONTAINING
PROTEIN

(Streptomyces
pristinaespiralis) 		no annotation 5 PHE A  55
GLY A  53
ASP A  73
THR A  29
PHE A 297
 None
 1.41A 3a25A-4okmA:
undetectable		 3a25A-4okmA:
22.16
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.
4on1 PUTATIVE
METALLOPROTEASE II

(Bacteroides
fragilis) 		PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm) 		5 ASN A  57
GLY A  80
ILE A  83
LYS A 260
THR A 258
 None
 1.44A 3a25A-4on1A:
undetectable		 3a25A-4on1A:
19.53
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 SER A 425
ILE A 320
ASP A 286
THR A 265
ASN A 321
 None
None
None
None
FAD  A 902 (-4.2A)
 1.29A 3a25A-4qi7A:
2.8		 3a25A-4qi7A:
16.43
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.
4r4z PNGF-II

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 ARG A 465
PHE A 303
GLY A 491
ILE A 493
THR A 326
 None
 1.47A 3a25A-4r4zA:
undetectable		 3a25A-4r4zA:
20.89
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.
4r9m SPERMIDINE
N(1)-ACETYLTRANSFERA
SE

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		5 PHE A  86
GLY A 111
ILE A 164
ASP A 109
THR A 113
 None
 1.37A 3a25A-4r9mA:
undetectable		 3a25A-4r9mA:
25.40
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.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		5 ASN A 201
ILE A 162
THR A 155
ASN A 139
PHE A 114
 None
None
PRO  A 501 (-3.2A)
None
None
 1.50A 3a25A-4rdcA:
2.6		 3a25A-4rdcA:
20.64
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 GLY A 296
HIS A 274
ILE A 293
ASP A 300
THR A 298
 None
MN  A 581 (-3.5A)
None
None
None
 1.47A 3a25A-4uwqA:
undetectable		 3a25A-4uwqA:
20.74
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.
4yo7 SUGAR ABC
TRANSPORTER
(SUGAR-BINDING
PROTEIN)

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 ASN A 233
ARG A 183
GLY A 176
ASP A 108
THR A 109
 INS  A 405 (-3.8A)
INS  A 405 (-2.6A)
None
None
None
 1.40A 3a25A-4yo7A:
undetectable		 3a25A-4yo7A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE

(Homo sapiens) 		PF04389
(Peptidase_M28) 		5 SER A 323
GLY A 251
ASP A 340
THR A 343
ASN A 335
 None
 1.36A 3a25A-4yu9A:
undetectable		 3a25A-4yu9A:
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.
4yxd SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
CYTOCHROME B SMALL
SUBUNIT,
MITOCHONDRIAL

(Sus scrofa;
Sus scrofa) 		PF01127
(Sdh_cyt)
PF05328
(CybS) 		5 PHE D 119
GLY D 115
ILE D 126
THR D 112
PHE C  70
 None
 1.49A 3a25A-4yxdD:
undetectable		 3a25A-4yxdD:
20.07
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 SER A 520
ASN A 517
ILE A1298
ASP A1271
PHE A 476
 A  B  11 ( 3.6A)
C  B  12 ( 3.2A)
None
None
None
 1.11A 3a25A-5amqA:
undetectable		 3a25A-5amqA:
8.80
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.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 PHE I  68
GLY I 213
HIS I 212
ASN I  65
PHE I 114
 None
 0.85A 3a25A-5excI:
undetectable		 3a25A-5excI:
19.61
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.
5i6c URIC ACID-XANTHINE
PERMEASE

(Aspergillus
nidulans) 		PF00860
(Xan_ur_permease) 		5 SER A 297
PHE A 276
GLY A 454
ILE A 272
THR A 457
 LMT  A1003 ( 4.9A)
None
None
None
None
 1.28A 3a25A-5i6cA:
undetectable		 3a25A-5i6cA:
18.58
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.
5j3p TYROSYL-DNA
PHOSPHODIESTERASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 SER A 333
ASN A 357
GLY A 353
ILE A 121
THR A 296
 None
 1.43A 3a25A-5j3pA:
undetectable		 3a25A-5j3pA:
20.77
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.
5jip CORTICAL-LYTIC
ENZYME

(Clostridium
perfringens) 		PF01183
(Glyco_hydro_25) 		5 SER A  35
ASN A  34
GLY A 208
ASP A 206
THR A 205
 None
 1.42A 3a25A-5jipA:
undetectable		 3a25A-5jipA:
22.85
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.
5lgg ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 SER A 425
PHE A 248
HIS A 266
ILE A 255
ASN A 250
 None
 1.30A 3a25A-5lggA:
undetectable		 3a25A-5lggA:
22.05
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.
5o5s RNASE ADAPTER
PROTEIN RAPZ

(Escherichia
coli) 		PF03668
(ATP_bind_2) 		5 PHE A 167
ILE A 245
ASP A 178
THR A 242
PHE A 169
 None
 1.33A 3a25A-5o5sA:
undetectable		 3a25A-5o5sA:
16.67
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.
5t8u LIPOATE-PROTEIN
LIGASE 1

(Plasmodium
falciparum) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 SER A  74
GLY A  78
ILE A 324
ASP A 320
PHE A 166
 None
 1.34A 3a25A-5t8uA:
undetectable		 3a25A-5t8uA:
20.50
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 ASN A 187
ARG A 186
HIS A 270
ILE A 267
ASP A 104
 SO4  A1211 (-4.5A)
None
None
None
None
 1.43A 3a25A-5u09A:
4.0		 3a25A-5u09A:
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.
5u1s SEPARIN
SECURIN

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50)
PF04856
(Securin) 		5 ASN A1229
ARG B 265
GLY A1506
ILE A1503
PHE A1574
 None
 1.33A 3a25A-5u1sA:
undetectable		 3a25A-5u1sA:
10.76
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.
5uco 2,4,6-TRIHYDROXYBENZ
OPHENONE SYNTHASE

(Hypericum
androsaemum) 		no annotation 5 SER A 136
GLY A 170
ILE A 375
THR A 172
PHE A 279
 None
 1.46A 3a25A-5ucoA:
undetectable		 3a25A-5ucoA:
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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		5 SER A 221
ASN A  99
ILE A  30
THR A 227
ASN A 340
 None
 1.06A 3a25A-5vc2A:
undetectable		 3a25A-5vc2A:
22.85
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.
5xts MACROPHAGE MANNOSE
RECEPTOR 1

(Homo sapiens) 		no annotation 5 PHE A 174
GLY A 195
LYS A 204
ASP A 203
THR A 197
 None
 1.16A 3a25A-5xtsA:
undetectable		 3a25A-5xtsA:
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.
5xtw MACROPHAGE MANNOSE
RECEPTOR 1

(Homo sapiens) 		no annotation 5 PHE A 174
GLY A 195
LYS A 204
ASP A 203
THR A 197
 None
 1.22A 3a25A-5xtwA:
undetectable		 3a25A-5xtwA:
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.
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 6
X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5

(Homo sapiens;
Homo sapiens) 		PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N)
PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		5 ASN B 440
PHE A 382
GLY A 377
ILE A 269
PHE A 432
 None
 1.24A 3a25A-5y3rB:
undetectable		 3a25A-5y3rB:
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 PHE A 111
GLY A 113
HIS A 109
ILE A  54
THR A 309
 None
 1.08A 3a25A-6d0nA:
undetectable		 3a25A-6d0nA:
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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		3 MET A 111
GLU A 193
ASP A 437
 None
 0.99A 3a25A-1aqlA:
undetectable		 3a25A-1aqlA:
18.57
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.
1bjn PHOSPHOSERINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00266
(Aminotran_5) 		3 MET A 237
GLU A  54
ASP A  56
 None
 1.12A 3a25A-1bjnA:
2.0		 3a25A-1bjnA:
23.81
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.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		3 MET A 184
GLU A 146
ASP A 131
 None
 1.05A 3a25A-1g55A:
8.9		 3a25A-1g55A:
21.45
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		3 MET A 457
GLU A 570
ASP A 568
 None
 1.00A 3a25A-1g7rA:
undetectable		 3a25A-1g7rA:
23.08
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.
1if1 PROTEIN (INTERFERON
REGULATORY FACTOR 1)

(Mus musculus) 		PF00605
(IRF) 		3 MET A 111
GLU A  92
ASP A  96
 None
 1.12A 3a25A-1if1A:
undetectable		 3a25A-1if1A:
14.29
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.
1iom CITRATE SYNTHASE

(Thermus
thermophilus) 		PF00285
(Citrate_synt) 		3 MET A  92
GLU A 224
ASP A 312
 None
None
GOL  A 400 (-2.9A)
 1.08A 3a25A-1iomA:
undetectable		 3a25A-1iomA:
25.31
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 MET A 306
GLU A 313
ASP A 352
 None
 0.67A 3a25A-1kblA:
undetectable		 3a25A-1kblA:
16.92
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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		3 MET B 100
GLU B  65
ASP B 140
 None
 1.09A 3a25A-1kwcB:
undetectable		 3a25A-1kwcB:
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.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 MET B 450
GLU B 443
ASP B 483
 None
 1.10A 3a25A-1ldkB:
undetectable		 3a25A-1ldkB:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1noz DNA POLYMERASE

(Escherichia
virus T4) 		PF03104
(DNA_pol_B_exo1) 		3 MET A 356
GLU A 216
ASP A 219
 None
 1.08A 3a25A-1nozA:
undetectable		 3a25A-1nozA:
21.29
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.
1p9w GENERAL SECRETION
PATHWAY PROTEIN E

(Vibrio cholerae) 		PF00437
(T2SSE) 		3 MET A 355
GLU A 292
ASP A 298
 None
 1.10A 3a25A-1p9wA:
3.0		 3a25A-1p9wA:
22.54
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.
1r0l 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Zymomonas
mobilis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		3 MET A 325
GLU A 126
ASP A 150
 None
 1.11A 3a25A-1r0lA:
5.0		 3a25A-1r0lA:
21.90
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		3 MET A 386
GLU A 372
ASP A 342
 None
 0.88A 3a25A-1rw9A:
undetectable		 3a25A-1rw9A:
16.07
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.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		3 MET A 502
GLU A 489
ASP A 145
 None
 1.11A 3a25A-1sy7A:
undetectable		 3a25A-1sy7A:
16.92
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 MET A  43
GLU A 662
ASP A 468
 None
None
2MD  A 799 (-3.1A)
 1.04A 3a25A-1tmoA:
undetectable		 3a25A-1tmoA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vp4 AMINOTRANSFERASE,
PUTATIVE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		3 MET A 258
GLU A 214
ASP A 229
 None
 0.97A 3a25A-1vp4A:
4.0		 3a25A-1vp4A:
24.89
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		3 MET A 996
GLU A 977
ASP A 803
 None
 0.67A 3a25A-1xf1A:
undetectable		 3a25A-1xf1A:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi;
Pyrococcus
abyssi) 		PF00710
(Asparaginase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		3 MET A  36
GLU A  40
ASP C 437
 None
 1.10A 3a25A-1zq1A:
undetectable		 3a25A-1zq1A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		3 MET A 938
GLU A 943
ASP A 986
 None
 1.04A 3a25A-2b5mA:
undetectable		 3a25A-2b5mA:
13.32
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.
2bl0 MYOSIN REGULATORY
LIGHT CHAIN

(Physarum
polycephalum) 		PF13833
(EF-hand_8) 		3 MET C 152
GLU C  19
ASP C  14
 None
 0.77A 3a25A-2bl0C:
undetectable		 3a25A-2bl0C:
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.
2cb5 PROTEIN (BLEOMYCIN
HYDROLASE)

(Homo sapiens) 		PF03051
(Peptidase_C1_2) 		3 MET A 149
GLU A 421
ASP A 273
 None
 0.81A 3a25A-2cb5A:
undetectable		 3a25A-2cb5A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cpd APOBEC-1 STIMULATING
PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		3 MET A 283
GLU A 277
ASP A 225
 None
 1.12A 3a25A-2cpdA:
undetectable		 3a25A-2cpdA:
17.00
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.
2drq XYLANASE Y

(Bacillus
halodurans) 		PF01270
(Glyco_hydro_8) 		3 MET A 101
GLU A 130
ASP A 128
 None
 1.10A 3a25A-2drqA:
undetectable		 3a25A-2drqA:
20.29
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.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		3 MET A 258
GLU A 316
ASP A 329
 None
 1.01A 3a25A-2hrzA:
3.4		 3a25A-2hrzA:
24.44
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.
2ia2 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		3 MET A 133
GLU A 109
ASP A 240
 None
 0.94A 3a25A-2ia2A:
undetectable		 3a25A-2ia2A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ib0 CONSERVED
HYPOTHETICAL ALANINE
RICH PROTEIN

(Mycobacterium
tuberculosis) 		PF14530
(DUF4439) 		3 MET A 106
GLU A  33
ASP A  67
 None
 1.03A 3a25A-2ib0A:
undetectable		 3a25A-2ib0A:
19.21
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.
2ib0 CONSERVED
HYPOTHETICAL ALANINE
RICH PROTEIN

(Mycobacterium
tuberculosis) 		PF14530
(DUF4439) 		3 MET A 140
GLU A  33
ASP A  67
 None
 0.89A 3a25A-2ib0A:
undetectable		 3a25A-2ib0A:
19.21
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		3 MET A 157
GLU A 407
ASP A 198
 PRI  A1566 ( 3.6A)
MN  A1567 (-2.5A)
None
 0.92A 3a25A-2j3mA:
undetectable		 3a25A-2j3mA:
20.03
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.
2owz FRUCTOSE-1,6-BISPHOS
PHATASE

(Escherichia
coli) 		PF00316
(FBPase) 		3 MET A 279
GLU A  89
ASP A  66
 None
 1.12A 3a25A-2owzA:
undetectable		 3a25A-2owzA:
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		3 MET A 275
GLU A  84
ASP A  76
 None
 1.06A 3a25A-2p1iA:
undetectable		 3a25A-2p1iA:
23.24
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		3 MET A 874
GLU A 856
ASP A 722
 IBM  A   3 ( 3.8A)
None
MG  A   2 ( 2.6A)
 1.04A 3a25A-2r8qA:
undetectable		 3a25A-2r8qA:
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		3 MET A  54
GLU A 337
ASP A 335
 None
 1.12A 3a25A-2rjbA:
undetectable		 3a25A-2rjbA:
21.91
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.
2rkj TYROSYL-TRNA
SYNTHETASE

(Neurospora
crassa) 		PF00579
(tRNA-synt_1b) 		3 MET A 367
GLU A 358
ASP A 354
 None
 0.92A 3a25A-2rkjA:
2.6		 3a25A-2rkjA:
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		3 MET A 973
GLU A1094
ASP A1090
 None
 1.06A 3a25A-2vsqA:
undetectable		 3a25A-2vsqA:
13.57
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		3 MET A  23
GLU A   7
ASP A  41
 None
 0.79A 3a25A-2xsbA:
undetectable		 3a25A-2xsbA:
21.62
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.
2z7b MLR6791 PROTEIN

(Mesorhizobium
japonicum) 		PF00596
(Aldolase_II) 		3 MET A   1
GLU A   8
ASP A 218
 None
 1.06A 3a25A-2z7bA:
undetectable		 3a25A-2z7bA:
26.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		3 MET A  78
GLU A 127
ASP A 154
 SAM  A 250 (-4.2A)
SAM  A 250 (-3.0A)
SAM  A 250 (-3.2A)
 0.85A 3a25A-3a27A:
31.1		 3a25A-3a27A:
44.44
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 MET A  10
GLU A 292
ASP A 245
 None
 1.03A 3a25A-3abgA:
undetectable		 3a25A-3abgA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermotoga
maritima) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		3 MET B 148
GLU B 126
ASP B 281
 None
 0.80A 3a25A-3al0B:
undetectable		 3a25A-3al0B:
20.89
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.
3brq HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ASCG

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		3 MET A 256
GLU A  36
ASP A 207
 None
 1.09A 3a25A-3brqA:
undetectable		 3a25A-3brqA:
22.32
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		3 MET A 528
GLU A 543
ASP A 801
 None
None
ZN  A 101 ( 2.5A)
 1.10A 3a25A-3c10A:
3.4		 3a25A-3c10A:
21.84
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.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 3 MET A  66
GLU A  35
ASP A 152
 None
 1.10A 3a25A-3cvoA:
10.1		 3a25A-3cvoA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gw4 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		PF13424
(TPR_12) 		3 MET A  75
GLU A  93
ASP A 103
 None
 0.75A 3a25A-3gw4A:
undetectable		 3a25A-3gw4A:
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		3 MET A 163
GLU A 213
ASP A 240
 SAH  A 350 ( 3.7A)
SAH  A 350 (-2.9A)
SAH  A 350 (-3.4A)
 0.99A 3a25A-3gxoA:
15.0		 3a25A-3gxoA:
24.93
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.
3j04 MYOSIN-11

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		3 MET A 342
GLU A 348
ASP A 623
 None
 0.77A 3a25A-3j04A:
undetectable		 3a25A-3j04A:
16.17
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		3 MET A 285
GLU A 251
ASP A 256
 None
 0.92A 3a25A-3k6kA:
2.1		 3a25A-3k6kA:
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		3 MET B 921
GLU B1020
ASP B 961
 None
 0.88A 3a25A-3k70B:
undetectable		 3a25A-3k70B:
12.87
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.
3m9u FARNESYL-DIPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		3 MET A  94
GLU A 246
ASP A 225
 None
 1.08A 3a25A-3m9uA:
undetectable		 3a25A-3m9uA:
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.
3obe SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		3 MET A 249
GLU A 304
ASP A 306
 None
 0.94A 3a25A-3obeA:
undetectable		 3a25A-3obeA:
22.64
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 MET A 410
GLU A  55
ASP A 420
 None
None
ACR  A 664 (-2.8A)
 0.95A 3a25A-3pocA:
undetectable		 3a25A-3pocA:
18.96
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 MET A 238
GLU A 221
ASP A 182
 None
 1.03A 3a25A-3q2iA:
5.3		 3a25A-3q2iA:
20.28
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.
3qlv GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 5

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		3 MET A 380
GLU A 360
ASP A 241
 None
 1.12A 3a25A-3qlvA:
undetectable		 3a25A-3qlvA:
23.90
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.
3sbx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
marinum) 		PF03641
(Lysine_decarbox) 		3 MET A 133
GLU A 103
ASP A 120
 None
None
AMP  A 188 (-3.5A)
 0.95A 3a25A-3sbxA:
3.6		 3a25A-3sbxA:
22.26
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 3 MET A  94
GLU A  98
ASP A 216
 GOL  A 503 ( 3.9A)
None
None
 1.09A 3a25A-3w9aA:
undetectable		 3a25A-3w9aA:
17.91
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.
3zlc ER-DERIVED VESICLES
PROTEIN ERV41

(Saccharomyces
cerevisiae) 		PF07970
(COPIIcoated_ERV)
PF13850
(ERGIC_N) 		3 MET A 276
GLU A 176
ASP A  86
 None
 1.08A 3a25A-3zlcA:
undetectable		 3a25A-3zlcA:
21.29
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.
4a0k CULLIN-4A

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 MET A 498
GLU A 472
ASP A 414
 None
 0.93A 3a25A-4a0kA:
undetectable		 3a25A-4a0kA:
19.02
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 MET E 652
GLU E 626
ASP E 568
 None
 1.06A 3a25A-4a0lE:
undetectable		 3a25A-4a0lE:
18.38
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.
4a4k ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF13234
(rRNA_proc-arch) 		3 MET A 875
GLU A 981
ASP A 909
 None
 0.76A 3a25A-4a4kA:
undetectable		 3a25A-4a4kA:
25.62
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.
4bwp PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN-3

(Drosophila
melanogaster) 		no annotation 3 MET A 785
GLU A 778
ASP A 748
 None
 0.96A 3a25A-4bwpA:
undetectable		 3a25A-4bwpA:
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 16 HOMOLOG

(Homo sapiens;
Homo sapiens) 		PF00995
(Sec1)
PF04840
(Vps16_C) 		3 MET A 592
GLU A 439
ASP C 698
 None
 1.11A 3a25A-4bx9A:
3.7		 3a25A-4bx9A:
20.61
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		3 MET A 662
GLU A 677
ASP A 934
 None
None
ZN  A2034 ( 2.4A)
 1.07A 3a25A-4cbyA:
3.4		 3a25A-4cbyA:
22.69
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.
4euf PUTATIVE REDUCTASE
CA_C0462

(Clostridium
acetobutylicum) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		3 MET A 307
GLU A  23
ASP A 378
 None
 0.86A 3a25A-4eufA:
5.6		 3a25A-4eufA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		3 MET B 641
GLU B 602
ASP B 594
 None
 1.06A 3a25A-4f92B:
2.9		 3a25A-4f92B:
11.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzy EXODEOXYRIBONUCLEASE
10

(Escherichia
coli) 		PF00929
(RNase_T) 		3 MET A  57
GLU A  18
ASP A 139
 None
None
NA  A 201 (-3.1A)
 1.05A 3a25A-4fzyA:
undetectable		 3a25A-4fzyA:
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		3 MET B 637
GLU B 547
ASP B 556
 CME  B 592 ( 4.9A)
None
None
 1.02A 3a25A-4g7eB:
undetectable		 3a25A-4g7eB:
18.19
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.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas sp.
C18;
Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		3 MET B 190
GLU B  89
ASP A 264
 EDO  B 201 (-4.1A)
None
None
 1.01A 3a25A-4hjlB:
undetectable		 3a25A-4hjlB:
22.65
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.
4hr6 LECTIN

(Trichosanthes
anguina) 		PF00652
(Ricin_B_lectin) 		3 MET C 148
GLU C 151
ASP C 154
 None
 1.07A 3a25A-4hr6C:
undetectable		 3a25A-4hr6C:
20.89
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.
4i5n SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT BETA -
CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG CHIMERIC
CONSTRUCT

(Homo sapiens) 		PF13499
(EF-hand_7) 		3 MET B 351
GLU B 384
ASP B 386
 None
 1.07A 3a25A-4i5nB:
undetectable		 3a25A-4i5nB:
19.58
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.
4i8o TOXIN RNLA

(Escherichia
coli) 		PF15935
(RnlA_toxin) 		3 MET A 103
GLU A  99
ASP A 246
 None
 0.97A 3a25A-4i8oA:
undetectable		 3a25A-4i8oA:
20.91
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.
4kss TYPE II SECRETION
SYSTEM PROTEIN E,
HEMOLYSIN-COREGULATE
D PROTEIN

(Pseudomonas
aeruginosa;
Vibrio cholerae) 		PF00437
(T2SSE)
PF05638
(T6SS_HCP) 		3 MET A 355
GLU A 292
ASP A 298
 None
 1.03A 3a25A-4kssA:
undetectable		 3a25A-4kssA:
20.53
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.
4le4 BETA-GLUCANASE

(Podospora
anserina) 		no annotation 3 MET A  95
GLU A  99
ASP A 222
 None
 1.09A 3a25A-4le4A:
undetectable		 3a25A-4le4A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		3 MET A 180
GLU A 163
ASP A 161
 DMS  A 513 ( 4.3A)
None
None
 1.10A 3a25A-4mchA:
undetectable		 3a25A-4mchA:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		3 MET A 271
GLU A 242
ASP A 751
 None
 1.10A 3a25A-4n4rA:
undetectable		 3a25A-4n4rA:
16.17
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.
4n7r GLUTAMYL-TRNA
REDUCTASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		3 MET A 420
GLU A 196
ASP A 189
 None
 0.86A 3a25A-4n7rA:
6.5		 3a25A-4n7rA:
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		3 MET A 239
GLU A 217
ASP A 282
 None
 1.05A 3a25A-4n91A:
undetectable		 3a25A-4n91A:
21.62
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.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		3 MET A 145
GLU A 107
ASP A 212
 None
 0.91A 3a25A-4p58A:
13.5		 3a25A-4p58A:
21.02
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.
4pht GENERAL SECRETORY
PATHWAY PROTEIN E

(Vibrio
vulnificus) 		PF00437
(T2SSE) 		3 MET A 351
GLU A 288
ASP A 294
 None
 1.10A 3a25A-4phtA:
undetectable		 3a25A-4phtA:
21.26
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.
4uyb SEC14-LIKE PROTEIN 3

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		3 MET A  60
GLU A 129
ASP A 136
 None
 1.03A 3a25A-4uybA:
undetectable		 3a25A-4uybA:
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.
4za3 RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00652
(Ricin_B_lectin) 		3 MET B 147
GLU B 150
ASP B 153
 None
 1.10A 3a25A-4za3B:
undetectable		 3a25A-4za3B:
20.57
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 3 MET C 192
GLU C 166
ASP C 164
 None
 1.03A 3a25A-5cw2C:
undetectable		 3a25A-5cw2C:
24.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		3 MET A 330
GLU A 111
ASP A  14
 MAL  A 601 ( 4.3A)
MAL  A 601 (-3.0A)
SO4  A 602 ( 4.7A)
 0.97A 3a25A-5dfmA:
undetectable		 3a25A-5dfmA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 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 3 MET B 489
GLU B 502
ASP B 742
 None
None
ZN  B2502 ( 2.7A)
 0.97A 3a25A-5eduB:
3.5		 3a25A-5eduB:
19.03
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 3 MET B 452
GLU B 465
ASP B 705
 None
None
ZN  B 801 (-2.6A)
 1.00A 3a25A-5efnB:
undetectable		 3a25A-5efnB:
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		3 MET A 327
GLU A 276
ASP A 345
 None
 0.92A 3a25A-5f7uA:
undetectable		 3a25A-5f7uA:
13.72
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		3 MET A 452
GLU A 465
ASP A 705
 None
None
ZN  A1804 ( 2.5A)
 1.00A 3a25A-5g0hA:
2.3		 3a25A-5g0hA:
17.28
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.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		3 MET A 529
GLU A 322
ASP A 607
 None
 1.02A 3a25A-5gxuA:
undetectable		 3a25A-5gxuA:
19.20
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.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 3 MET A 862
GLU A 844
ASP A 710
 LLN  A1003 (-3.5A)
None
MG  A1002 ( 2.6A)
 1.03A 3a25A-5h2rA:
undetectable		 3a25A-5h2rA:
22.55
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		3 MET A 389
GLU A 342
ASP A 325
 None
 1.12A 3a25A-5h2vA:
undetectable		 3a25A-5h2vA:
14.13
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		3 MET A 385
GLU A 166
ASP A  69
 MAL  A 803 ( 3.5A)
MAL  A 803 (-2.7A)
None
 0.98A 3a25A-5hzwA:
undetectable		 3a25A-5hzwA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		3 MET A 127
GLU A 208
ASP A 188
 None
 1.11A 3a25A-5i0pA:
undetectable		 3a25A-5i0pA:
23.60
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 MET B 662
GLU B 810
ASP B1043
 None
 1.10A 3a25A-5ip9B:
undetectable		 3a25A-5ip9B:
13.27
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.
5k8d COAGULATION FACTOR
VIII
COAGULATION FACTOR
VIII,IG GAMMA-1
CHAIN C REGION

(Homo sapiens;
Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		3 MET A 702
GLU B1844
ASP B1884
 None
 0.91A 3a25A-5k8dA:
undetectable		 3a25A-5k8dA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4w CULLIN-2

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 MET A 480
GLU A 454
ASP A 396
 None
 0.74A 3a25A-5n4wA:
undetectable		 3a25A-5n4wA:
17.63
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 3 MET A  24
GLU A 378
ASP A 357
 None
 1.06A 3a25A-5nlmA:
4.0		 3a25A-5nlmA:
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.
5szp PROTOCADHERIN GAMMA
B7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		3 MET A 169
GLU A 173
ASP A 238
 None
CA  A 505 ( 2.4A)
CA  A 506 (-2.2A)
 1.09A 3a25A-5szpA:
undetectable		 3a25A-5szpA:
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		3 MET A  13
GLU A  28
ASP A 267
 None
None
ZN  A 701 ( 2.6A)
 0.97A 3a25A-5td7A:
3.4		 3a25A-5td7A:
19.03
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		3 MET A 357
GLU A 869
ASP A 899
 None
 1.02A 3a25A-5um6A:
4.2		 3a25A-5um6A:
15.63
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.
5un1 IONOTROPIC GLUTAMATE
RECEPTOR SUBUNIT
NR2B
N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR1-3A

(Xenopus laevis;
Xenopus laevis) 		no annotation
no annotation 		3 MET B 501
GLU G 473
ASP G 509
 None
 1.05A 3a25A-5un1B:
undetectable		 3a25A-5un1B:
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		3 MET A 127
GLU A 208
ASP A 188
 None
 1.06A 3a25A-6ao1A:
undetectable		 3a25A-6ao1A:
23.28
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.
6cza


(;
) 		no annotation
no annotation 		3 MET A  75
GLU B  25
ASP B 168
 FMT  A 907 ( 4.6A)
None
None
 1.06A 3a25A-6czaA:
undetectable		 3a25A-6czaA:
undetectable