SIMILAR PATTERNS OF AMINO ACIDS FOR 3A25_A_SAMA279_0

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