SIMILAR PATTERNS OF AMINO ACIDS FOR 3X2Q_P_CHDP308_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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 LEU A 223
HIS A 340
ASP A 347
TYR A 348
 None
 1.16A 3x2qC-1cb8A:
0.0
3x2qN-1cb8A:
0.2
3x2qP-1cb8A:
0.0		 3x2qC-1cb8A:
16.94
3x2qN-1cb8A:
21.65
3x2qP-1cb8A:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 LEU A 196
ASP A 246
TYR A 247
HIS A 328
 None
None
None
GOL  A1449 ( 4.1A)
 1.09A 3x2qC-1h4pA:
undetectable
3x2qN-1h4pA:
0.5
3x2qP-1h4pA:
undetectable		 3x2qC-1h4pA:
18.60
3x2qN-1h4pA:
21.08
3x2qP-1h4pA:
18.60
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.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 LEU A 251
HIS A  21
THR A 124
TYR A  76
 None
 0.93A 3x2qC-1juhA:
undetectable
3x2qN-1juhA:
undetectable
3x2qP-1juhA:
undetectable		 3x2qC-1juhA:
21.41
3x2qN-1juhA:
20.45
3x2qP-1juhA:
21.41
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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans) 		PF01263
(Aldose_epim) 		4 HIS A1163
ASP A1276
TYR A1285
HIS A1092
 None
 0.93A 3x2qC-1lurA:
undetectable
3x2qN-1lurA:
undetectable
3x2qP-1lurA:
undetectable		 3x2qC-1lurA:
21.68
3x2qN-1lurA:
21.01
3x2qP-1lurA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		4 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 0.99A 3x2qC-1ndfA:
1.3
3x2qN-1ndfA:
0.5
3x2qP-1ndfA:
1.4		 3x2qC-1ndfA:
17.22
3x2qN-1ndfA:
20.15
3x2qP-1ndfA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 3x2qC-1nj1A:
undetectable
3x2qN-1nj1A:
undetectable
3x2qP-1nj1A:
undetectable		 3x2qC-1nj1A:
18.34
3x2qN-1nj1A:
20.07
3x2qP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nzy 4-CHLOROBENZOYL
COENZYME A
DEHALOGENASE

(Pseudomonas sp.
CBS3) 		PF00378
(ECH_1) 		4 LEU B 181
HIS B  90
TRP B  89
HIS B  94
 None
None
BCA  B 272 (-3.5A)
None
 1.16A 3x2qC-1nzyB:
0.0
3x2qN-1nzyB:
undetectable
3x2qP-1nzyB:
0.0		 3x2qC-1nzyB:
22.03
3x2qN-1nzyB:
19.38
3x2qP-1nzyB:
22.03
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.
1ofm CHONDROITINASE B

(Pedobacter
heparinus) 		PF14592
(Chondroitinas_B) 		4 LEU A 484
TRP A 102
THR A 168
TRP A 474
 None
 1.04A 3x2qC-1ofmA:
undetectable
3x2qN-1ofmA:
undetectable
3x2qP-1ofmA:
undetectable		 3x2qC-1ofmA:
17.28
3x2qN-1ofmA:
20.00
3x2qP-1ofmA:
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.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 LEU A  77
THR A 116
TYR A 117
HIS A 180
 None
 1.09A 3x2qC-1p16A:
undetectable
3x2qN-1p16A:
undetectable
3x2qP-1p16A:
undetectable		 3x2qC-1p16A:
20.60
3x2qN-1p16A:
20.40
3x2qP-1p16A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00510
(COX3) 		4 HIS A 269
TRP A 323
TYR A 339
TRP C 106
 PC1  C 301 ( 4.2A)
None
PC1  C 301 (-3.3A)
PC1  C 301 (-4.4A)
 0.56A 3x2qC-1qleA:
2.7
3x2qN-1qleA:
54.5
3x2qP-1qleA:
2.7		 3x2qC-1qleA:
20.59
3x2qN-1qleA:
53.19
3x2qP-1qleA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		4 LEU A  95
TRP A  30
TYR A  93
HIS A 142
 None
 1.08A 3x2qC-1r8yA:
undetectable
3x2qN-1r8yA:
undetectable
3x2qP-1r8yA:
0.0		 3x2qC-1r8yA:
19.94
3x2qN-1r8yA:
21.10
3x2qP-1r8yA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		4 TRP A  30
THR A  67
TYR A  93
HIS A 142
 None
 1.16A 3x2qC-1r8yA:
undetectable
3x2qN-1r8yA:
undetectable
3x2qP-1r8yA:
0.0		 3x2qC-1r8yA:
19.94
3x2qN-1r8yA:
21.10
3x2qP-1r8yA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A  25
ASP A  40
THR A  39
TYR A  38
 None
 0.99A 3x2qC-1uliA:
undetectable
3x2qN-1uliA:
undetectable
3x2qP-1uliA:
undetectable		 3x2qC-1uliA:
19.61
3x2qN-1uliA:
20.04
3x2qP-1uliA:
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 LEU A 389
ASP A 381
TYR A 383
HIS A 429
 None
 1.07A 3x2qC-1uokA:
undetectable
3x2qN-1uokA:
undetectable
3x2qP-1uokA:
undetectable		 3x2qC-1uokA:
17.17
3x2qN-1uokA:
19.97
3x2qP-1uokA:
17.17
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.
1vbc POLIOVIRUS TYPE 3

(Enterovirus C) 		PF00073
(Rhv) 		4 LEU 3 225
HIS 3  97
ASP 3 227
THR 3 228
 None
 0.84A 3x2qC-1vbc3:
undetectable
3x2qN-1vbc3:
undetectable
3x2qP-1vbc3:
undetectable		 3x2qC-1vbc3:
22.66
3x2qN-1vbc3:
18.30
3x2qP-1vbc3:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vel STARVATION-INDUCED
DNA PROTECTING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 LEU A  35
ASP A  30
THR A  27
TYR A  28
 None
 1.15A 3x2qC-1velA:
5.4
3x2qN-1velA:
undetectable
3x2qP-1velA:
5.5		 3x2qC-1velA:
17.80
3x2qN-1velA:
17.45
3x2qP-1velA:
17.80
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 HIS A 285
ASP A 327
THR A 329
HIS A 267
 None
 1.04A 3x2qC-1vknA:
undetectable
3x2qN-1vknA:
undetectable
3x2qP-1vknA:
undetectable		 3x2qC-1vknA:
22.71
3x2qN-1vknA:
21.35
3x2qP-1vknA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 LEU A 207
ASP A 230
THR A 227
TYR A 225
 None
NAG  A1002 (-3.1A)
None
None
 0.93A 3x2qC-1wmrA:
undetectable
3x2qN-1wmrA:
undetectable
3x2qP-1wmrA:
undetectable		 3x2qC-1wmrA:
18.10
3x2qN-1wmrA:
22.71
3x2qP-1wmrA:
18.10
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		4 LEU A 204
HIS A 242
TYR A 180
HIS A 246
 None
CRB  A 500 ( 3.9A)
None
CRB  A 500 (-4.1A)
 1.09A 3x2qC-1xajA:
undetectable
3x2qN-1xajA:
undetectable
3x2qP-1xajA:
undetectable		 3x2qC-1xajA:
22.31
3x2qN-1xajA:
22.14
3x2qP-1xajA:
22.31
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 712
TYR A 716
TRP A 429
HIS A 431
 None
 1.09A 3x2qC-1xfdA:
undetectable
3x2qN-1xfdA:
undetectable
3x2qP-1xfdA:
undetectable		 3x2qC-1xfdA:
15.42
3x2qN-1xfdA:
19.95
3x2qP-1xfdA:
15.42
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 LEU A 205
HIS A 973
TYR A  98
HIS A 975
 None
 1.14A 3x2qC-1yq2A:
undetectable
3x2qN-1yq2A:
undetectable
3x2qP-1yq2A:
undetectable		 3x2qC-1yq2A:
13.83
3x2qN-1yq2A:
18.96
3x2qP-1yq2A:
13.83
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.
1yzw GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Heteractis
crispa) 		PF01353
(GFP) 		4 LEU A  52
THR A  19
TYR A  24
HIS A 106
 None
 1.18A 3x2qC-1yzwA:
undetectable
3x2qN-1yzwA:
undetectable
3x2qP-1yzwA:
undetectable		 3x2qC-1yzwA:
19.42
3x2qN-1yzwA:
17.64
3x2qP-1yzwA:
19.42
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.
1z7z HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		4 LEU 3 224
HIS 3  96
ASP 3 226
THR 3 227
 None
 0.82A 3x2qC-1z7z3:
undetectable
3x2qN-1z7z3:
undetectable
3x2qP-1z7z3:
undetectable		 3x2qC-1z7z3:
23.67
3x2qN-1z7z3:
17.82
3x2qP-1z7z3:
23.67
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.
1zzh CYTOCHROME C
PEROXIDASE

(Rhodobacter
capsulatus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 HIS A 264
ASP A 243
THR A 241
TRP A  97
 ZN  A 402 ( 3.6A)
None
None
None
 1.13A 3x2qC-1zzhA:
undetectable
3x2qN-1zzhA:
undetectable
3x2qP-1zzhA:
undetectable		 3x2qC-1zzhA:
21.13
3x2qN-1zzhA:
20.08
3x2qP-1zzhA:
21.13
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.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H   4
THR H  33
TYR H  32
TRP L  90
 None
 1.15A 3x2qC-2b2xH:
undetectable
3x2qN-2b2xH:
undetectable
3x2qP-2b2xH:
undetectable		 3x2qC-2b2xH:
22.43
3x2qN-2b2xH:
16.86
3x2qP-2b2xH:
22.43
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 HIS A 233
TRP A 288
ASP A 300
THR A 301
TYR A 304
 None
 0.15A 3x2qC-2eijA:
2.3
3x2qN-2eijA:
65.3
3x2qP-2eijA:
2.2		 3x2qC-2eijA:
21.00
3x2qN-2eijA:
100.00
3x2qP-2eijA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A 200
HIS A 448
THR A 148
HIS A 446
 None
C2O  A 602 (-3.3A)
None
C2O  A 602 (-4.0A)
 1.12A 3x2qC-2fqdA:
undetectable
3x2qN-2fqdA:
undetectable
3x2qP-2fqdA:
undetectable		 3x2qC-2fqdA:
17.76
3x2qN-2fqdA:
22.44
3x2qP-2fqdA:
17.76
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 LEU A  85
HIS A 195
ASP A 172
THR A 169
 None
 1.11A 3x2qC-2ggqA:
undetectable
3x2qN-2ggqA:
undetectable
3x2qP-2ggqA:
undetectable		 3x2qC-2ggqA:
18.55
3x2qN-2ggqA:
20.15
3x2qP-2ggqA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gs4 PROTEIN YCIF

(Escherichia
coli) 		PF05974
(DUF892) 		4 ASP A  16
THR A  17
TYR A  18
HIS A  47
 None
 1.18A 3x2qC-2gs4A:
4.0
3x2qN-2gs4A:
3.5
3x2qP-2gs4A:
4.0		 3x2qC-2gs4A:
20.32
3x2qN-2gs4A:
14.17
3x2qP-2gs4A:
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.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 LEU A 215
ASP A 259
THR A 265
TYR A 257
 NAP  A 901 (-4.1A)
None
None
None
 1.05A 3x2qC-2irwA:
undetectable
3x2qN-2irwA:
undetectable
3x2qP-2irwA:
undetectable		 3x2qC-2irwA:
18.75
3x2qN-2irwA:
18.68
3x2qP-2irwA:
18.75
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 LEU A 362
ASP A  86
THR A  87
HIS A  60
 None
 1.00A 3x2qC-2pl5A:
undetectable
3x2qN-2pl5A:
undetectable
3x2qP-2pl5A:
undetectable		 3x2qC-2pl5A:
22.13
3x2qN-2pl5A:
21.46
3x2qP-2pl5A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgq PROTEIN TM_1862

(Thermotoga
maritima) 		PF04055
(Radical_SAM) 		4 LEU A 164
ASP A 193
THR A 194
TYR A 197
 None
 1.11A 3x2qC-2qgqA:
undetectable
3x2qN-2qgqA:
undetectable
3x2qP-2qgqA:
undetectable		 3x2qC-2qgqA:
19.74
3x2qN-2qgqA:
17.72
3x2qP-2qgqA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 LEU A 214
HIS A  57
ASP A 290
HIS A 154
 None
 1.06A 3x2qC-2vatA:
undetectable
3x2qN-2vatA:
undetectable
3x2qP-2vatA:
undetectable		 3x2qC-2vatA:
20.27
3x2qN-2vatA:
21.62
3x2qP-2vatA:
20.27
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 LEU A 493
ASP A 466
THR A 465
TYR A 468
 None
 0.91A 3x2qC-2vobA:
undetectable
3x2qN-2vobA:
undetectable
3x2qP-2vobA:
undetectable		 3x2qC-2vobA:
15.17
3x2qN-2vobA:
21.23
3x2qP-2vobA:
15.17
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		4 LEU A 370
HIS A 116
THR A 392
HIS A  36
 None
 1.17A 3x2qC-2xhgA:
undetectable
3x2qN-2xhgA:
undetectable
3x2qP-2xhgA:
undetectable		 3x2qC-2xhgA:
19.86
3x2qN-2xhgA:
20.56
3x2qP-2xhgA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 LEU A 228
HIS A 479
TRP A 143
HIS A 162
 None
 1.18A 3x2qC-3aflA:
2.5
3x2qN-3aflA:
1.7
3x2qP-3aflA:
2.6		 3x2qC-3aflA:
13.68
3x2qN-3aflA:
20.15
3x2qP-3aflA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  85
HIS A 461
THR A 139
HIS A  94
 None
C2O  A 702 (-3.5A)
None
C2O  A 702 ( 3.2A)
 1.16A 3x2qC-3aw5A:
undetectable
3x2qN-3aw5A:
undetectable
3x2qP-3aw5A:
undetectable		 3x2qC-3aw5A:
18.91
3x2qN-3aw5A:
22.18
3x2qP-3aw5A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		4 LEU A  16
ASP A 179
THR A 180
HIS A 189
 None
 1.02A 3x2qC-3dqpA:
undetectable
3x2qN-3dqpA:
undetectable
3x2qP-3dqpA:
undetectable		 3x2qC-3dqpA:
20.86
3x2qN-3dqpA:
17.95
3x2qP-3dqpA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2

(Homo sapiens) 		PF04042
(DNA_pol_E_B) 		4 LEU A 133
HIS A  72
TRP A  73
ASP A 149
 None
 0.85A 3x2qC-3e0jA:
undetectable
3x2qN-3e0jA:
undetectable
3x2qP-3e0jA:
undetectable		 3x2qC-3e0jA:
18.12
3x2qN-3e0jA:
22.05
3x2qP-3e0jA:
18.12
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 3x2qC-3ec7A:
undetectable
3x2qN-3ec7A:
undetectable
3x2qP-3ec7A:
undetectable		 3x2qC-3ec7A:
19.29
3x2qN-3ec7A:
20.73
3x2qP-3ec7A:
19.29
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A  23
ASP A  38
THR A  37
TYR A  36
 None
 1.00A 3x2qC-3eqqA:
undetectable
3x2qN-3eqqA:
undetectable
3x2qP-3eqqA:
undetectable		 3x2qC-3eqqA:
18.97
3x2qN-3eqqA:
21.73
3x2qP-3eqqA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ffv PROTEIN SYD

(Escherichia
coli) 		PF07348
(Syd) 		4 LEU A 177
THR A  13
TYR A  16
TRP A 104
 None
 1.14A 3x2qC-3ffvA:
undetectable
3x2qN-3ffvA:
undetectable
3x2qP-3ffvA:
undetectable		 3x2qC-3ffvA:
20.00
3x2qN-3ffvA:
14.12
3x2qP-3ffvA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		4 LEU A 661
ASP A 654
TYR A 653
HIS A 643
 None
 1.14A 3x2qC-3fhnA:
3.8
3x2qN-3fhnA:
undetectable
3x2qP-3fhnA:
3.8		 3x2qC-3fhnA:
16.62
3x2qN-3fhnA:
20.97
3x2qP-3fhnA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		4 LEU A  77
TRP A 239
ASP A 213
THR A 214
 None
 1.15A 3x2qC-3h74A:
undetectable
3x2qN-3h74A:
1.5
3x2qP-3h74A:
undetectable		 3x2qC-3h74A:
21.50
3x2qN-3h74A:
21.65
3x2qP-3h74A:
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.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		4 LEU A  97
TRP A 287
THR A 311
TRP A 276
 None
 1.09A 3x2qC-3i09A:
undetectable
3x2qN-3i09A:
undetectable
3x2qP-3i09A:
undetectable		 3x2qC-3i09A:
22.07
3x2qN-3i09A:
21.43
3x2qP-3i09A:
22.07
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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		4 LEU P 326
HIS P 238
ASP P 198
THR P 194
 None
 1.11A 3x2qC-3izyP:
undetectable
3x2qN-3izyP:
undetectable
3x2qP-3izyP:
undetectable		 3x2qC-3izyP:
18.22
3x2qN-3izyP:
21.85
3x2qP-3izyP:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 LEU X 690
ASP X 714
THR X 701
TYR X 700
 None
 1.16A 3x2qC-3jb9X:
undetectable
3x2qN-3jb9X:
undetectable
3x2qP-3jb9X:
undetectable		 3x2qC-3jb9X:
11.15
3x2qN-3jb9X:
16.83
3x2qP-3jb9X:
11.15
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.
3jd5 28S RIBOSOMAL
PROTEIN S34,
MITOCHONDRIAL

(Bos taurus) 		PF00338
(Ribosomal_S10) 		4 TRP j  85
TYR j 203
TRP j 139
HIS j 136
 None
None
None
U  A  59 ( 3.4A)
 1.13A 3x2qC-3jd5j:
undetectable
3x2qN-3jd5j:
undetectable
3x2qP-3jd5j:
undetectable		 3x2qC-3jd5j:
18.80
3x2qN-3jd5j:
15.59
3x2qP-3jd5j:
18.80
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 4 LEU B 159
TRP B 126
ASP B 136
THR B 133
 None
 1.15A 3x2qC-3jruB:
undetectable
3x2qN-3jruB:
undetectable
3x2qP-3jruB:
undetectable		 3x2qC-3jruB:
21.27
3x2qN-3jruB:
22.30
3x2qP-3jruB:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3js4 SUPEROXIDE DISMUTASE

(Anaplasma
phagocytophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A  39
ASP A  34
THR A  31
TYR A  32
 None
 1.16A 3x2qC-3js4A:
undetectable
3x2qN-3js4A:
undetectable
3x2qP-3js4A:
undetectable		 3x2qC-3js4A:
22.68
3x2qN-3js4A:
18.43
3x2qP-3js4A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 LEU A 429
HIS A 365
TYR A 384
HIS A 350
 None
 0.98A 3x2qC-3lv4A:
undetectable
3x2qN-3lv4A:
undetectable
3x2qP-3lv4A:
undetectable		 3x2qC-3lv4A:
20.65
3x2qN-3lv4A:
22.18
3x2qP-3lv4A:
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.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		4 LEU A 648
ASP A 662
THR A 634
TYR A 635
 None
 1.12A 3x2qC-3ml3A:
undetectable
3x2qN-3ml3A:
undetectable
3x2qP-3ml3A:
undetectable		 3x2qC-3ml3A:
21.48
3x2qN-3ml3A:
18.96
3x2qP-3ml3A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 HIS A  90
ASP A 268
THR A 269
HIS A  92
 ZN  A   1 ( 3.2A)
None
None
ZN  A   1 ( 3.2A)
 1.17A 3x2qC-3mtwA:
undetectable
3x2qN-3mtwA:
undetectable
3x2qP-3mtwA:
undetectable		 3x2qC-3mtwA:
19.90
3x2qN-3mtwA:
21.42
3x2qP-3mtwA:
19.90
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.14A 3x2qC-3n58A:
undetectable
3x2qN-3n58A:
undetectable
3x2qP-3n58A:
undetectable		 3x2qC-3n58A:
20.40
3x2qN-3n58A:
21.15
3x2qP-3n58A:
20.40
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 LEU A 133
HIS A 198
THR A 147
HIS A 277
 None
FE2  A 501 (-3.3A)
None
NAD  A1385 ( 3.6A)
 1.11A 3x2qC-3ox4A:
2.3
3x2qN-3ox4A:
1.8
3x2qP-3ox4A:
2.4		 3x2qC-3ox4A:
20.96
3x2qN-3ox4A:
21.52
3x2qP-3ox4A:
20.96
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.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Pseudomonas
aeruginosa) 		PF03702
(AnmK) 		4 HIS A 147
ASP A 316
THR A 315
TYR A 318
 None
 1.15A 3x2qC-3qbwA:
undetectable
3x2qN-3qbwA:
undetectable
3x2qP-3qbwA:
undetectable		 3x2qC-3qbwA:
21.66
3x2qN-3qbwA:
21.43
3x2qP-3qbwA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		4 LEU A 258
ASP A   7
THR A   6
HIS A  59
 None
 1.08A 3x2qC-3qk7A:
undetectable
3x2qN-3qk7A:
undetectable
3x2qP-3qk7A:
undetectable		 3x2qC-3qk7A:
20.26
3x2qN-3qk7A:
20.19
3x2qP-3qk7A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tzg HYPOTHETICAL PROTEIN
BVU_2266

(Bacteroides
vulgatus) 		no annotation 4 LEU A 215
ASP A 125
THR A 126
HIS A 175
 None
 1.07A 3x2qC-3tzgA:
undetectable
3x2qN-3tzgA:
undetectable
3x2qP-3tzgA:
undetectable		 3x2qC-3tzgA:
22.15
3x2qN-3tzgA:
17.11
3x2qP-3tzgA:
22.15
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 LEU A 126
HIS A 511
ASP A 128
THR A 129
 None
 1.20A 3x2qC-3ujzA:
undetectable
3x2qN-3ujzA:
undetectable
3x2qP-3ujzA:
undetectable		 3x2qC-3ujzA:
13.39
3x2qN-3ujzA:
19.55
3x2qP-3ujzA:
13.39
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 LEU A  94
THR A 141
TRP A  33
HIS A  28
 None
None
None
NAG  A 605 ( 4.4A)
 1.08A 3x2qC-3v4pA:
undetectable
3x2qN-3v4pA:
undetectable
3x2qP-3v4pA:
undetectable		 3x2qC-3v4pA:
17.92
3x2qN-3v4pA:
22.31
3x2qP-3v4pA:
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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		4 LEU A 377
HIS A 493
ASP A 401
TYR A 422
 None
 1.10A 3x2qC-3vsvA:
undetectable
3x2qN-3vsvA:
undetectable
3x2qP-3vsvA:
undetectable		 3x2qC-3vsvA:
16.28
3x2qN-3vsvA:
21.22
3x2qP-3vsvA:
16.28
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.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF01786
(AOX) 		4 LEU A 294
HIS A 206
THR A 154
HIS A 280
 None
 0.91A 3x2qC-3vvaA:
3.6
3x2qN-3vvaA:
1.5
3x2qP-3vvaA:
3.6		 3x2qC-3vvaA:
20.30
3x2qN-3vvaA:
20.69
3x2qP-3vvaA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 LEU A 370
ASP A  82
THR A  83
HIS A  58
 None
 0.90A 3x2qC-3vvlA:
undetectable
3x2qN-3vvlA:
undetectable
3x2qP-3vvlA:
undetectable		 3x2qC-3vvlA:
20.36
3x2qN-3vvlA:
19.38
3x2qP-3vvlA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 LEU A 209
ASP A 225
THR A 224
TRP A 114
 None
None
None
TRS  A1352 ( 4.7A)
 1.20A 3x2qC-3zizA:
undetectable
3x2qN-3zizA:
undetectable
3x2qP-3zizA:
undetectable		 3x2qC-3zizA:
19.27
3x2qN-3zizA:
20.23
3x2qP-3zizA:
19.27
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 HIS A 191
ASP A 223
THR A 222
TYR A 221
 None
 1.10A 3x2qC-4el8A:
undetectable
3x2qN-4el8A:
undetectable
3x2qP-4el8A:
undetectable		 3x2qC-4el8A:
17.87
3x2qN-4el8A:
20.22
3x2qP-4el8A:
17.87
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.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		4 LEU A 166
ASP A 162
THR A 160
TYR A 164
 None
 1.15A 3x2qC-4ewfA:
undetectable
3x2qN-4ewfA:
undetectable
3x2qP-4ewfA:
undetectable		 3x2qC-4ewfA:
21.38
3x2qN-4ewfA:
20.12
3x2qP-4ewfA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 LEU A 184
THR A 274
TYR A 275
HIS A  65
 None
 1.06A 3x2qC-4g0rA:
undetectable
3x2qN-4g0rA:
undetectable
3x2qP-4g0rA:
undetectable		 3x2qC-4g0rA:
16.97
3x2qN-4g0rA:
20.65
3x2qP-4g0rA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 LEU A 566
ASP A 570
TYR A 572
HIS A 671
 None
 1.20A 3x2qC-4ktpA:
3.4
3x2qN-4ktpA:
2.1
3x2qP-4ktpA:
3.3		 3x2qC-4ktpA:
14.87
3x2qN-4ktpA:
19.54
3x2qP-4ktpA:
14.87
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 LEU A 348
ASP A 465
THR A 466
TYR A 469
 None
 0.91A 3x2qC-4onqA:
undetectable
3x2qN-4onqA:
undetectable
3x2qP-4onqA:
undetectable		 3x2qC-4onqA:
19.61
3x2qN-4onqA:
21.07
3x2qP-4onqA:
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.
4orz PROTEIN NEF
SINGLE DOMAIN
ANTIBODY SDAB19

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00469
(F-protein)
PF07686
(V-set) 		4 LEU B 193
ASP C  60
THR C  59
TYR C  58
 None
 1.14A 3x2qC-4orzB:
undetectable
3x2qN-4orzB:
undetectable
3x2qP-4orzB:
undetectable		 3x2qC-4orzB:
18.94
3x2qN-4orzB:
13.41
3x2qP-4orzB:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		4 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.18A 3x2qC-4qwwA:
undetectable
3x2qN-4qwwA:
undetectable
3x2qP-4qwwA:
undetectable		 3x2qC-4qwwA:
18.44
3x2qN-4qwwA:
22.47
3x2qP-4qwwA:
18.44
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		4 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.14A 3x2qC-4rkuB:
2.9
3x2qN-4rkuB:
2.3
3x2qP-4rkuB:
2.9		 3x2qC-4rkuB:
16.14
3x2qN-4rkuB:
22.74
3x2qP-4rkuB:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8b EXO-XYLOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.18A 3x2qC-4w8bA:
undetectable
3x2qN-4w8bA:
undetectable
3x2qP-4w8bA:
undetectable		 3x2qC-4w8bA:
22.14
3x2qN-4w8bA:
19.46
3x2qP-4w8bA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xlt RESPONSE REGULATOR
RECEIVER PROTEIN

(Dyadobacter
fermentans) 		PF00072
(Response_reg) 		4 LEU A 123
HIS A  41
ASP A  51
THR A  52
 None
 1.05A 3x2qC-4xltA:
undetectable
3x2qN-4xltA:
undetectable
3x2qP-4xltA:
undetectable		 3x2qC-4xltA:
18.29
3x2qN-4xltA:
12.73
3x2qP-4xltA:
18.29
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 4 ASP A 132
THR A 133
TYR A 136
TRP A  14
 None
None
ECP  A 700 ( 4.9A)
None
 1.15A 3x2qC-4xlyA:
undetectable
3x2qN-4xlyA:
undetectable
3x2qP-4xlyA:
undetectable		 3x2qC-4xlyA:
19.42
3x2qN-4xlyA:
19.80
3x2qP-4xlyA:
19.42
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.
4yoo RETINOBLASTOMA-LIKE
PROTEIN
1,RETINOBLASTOMA-LIK
E PROTEIN 1

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 LEU A 810
HIS A 839
ASP A 805
HIS A 877
 None
 1.17A 3x2qC-4yooA:
2.1
3x2qN-4yooA:
undetectable
3x2qP-4yooA:
2.1		 3x2qC-4yooA:
21.08
3x2qN-4yooA:
20.71
3x2qP-4yooA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE

(Saccharophagus
degradans) 		PF00150
(Cellulase) 		4 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 3x2qC-5a8qA:
undetectable
3x2qN-5a8qA:
undetectable
3x2qP-5a8qA:
undetectable		 3x2qC-5a8qA:
18.73
3x2qN-5a8qA:
22.09
3x2qP-5a8qA:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 LEU A 239
HIS A 199
ASP A 235
THR A 502
 None
 1.06A 3x2qC-5az4A:
undetectable
3x2qN-5az4A:
undetectable
3x2qP-5az4A:
undetectable		 3x2qC-5az4A:
15.61
3x2qN-5az4A:
21.03
3x2qP-5az4A:
15.61
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		4 LEU A 185
ASP A 177
TYR A 180
HIS A 206
 None
 1.19A 3x2qC-5gnxA:
undetectable
3x2qN-5gnxA:
undetectable
3x2qP-5gnxA:
undetectable		 3x2qC-5gnxA:
18.70
3x2qN-5gnxA:
20.29
3x2qP-5gnxA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5grs STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 LEU A 674
ASP A 727
THR A 720
TRP A 773
 None
 1.16A 3x2qC-5grsA:
undetectable
3x2qN-5grsA:
undetectable
3x2qP-5grsA:
undetectable		 3x2qC-5grsA:
20.62
3x2qN-5grsA:
19.81
3x2qP-5grsA:
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		4 LEU A 382
HIS A  61
THR A  54
TYR A  55
 None
 1.15A 3x2qC-5gslA:
undetectable
3x2qN-5gslA:
undetectable
3x2qP-5gslA:
undetectable		 3x2qC-5gslA:
14.85
3x2qN-5gslA:
20.36
3x2qP-5gslA:
14.85
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.
5gx8 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Streptobacillus
moniliformis) 		PF13416
(SBP_bac_8) 		4 LEU A 218
ASP A 282
THR A 281
TRP A 163
 None
 1.13A 3x2qC-5gx8A:
3.1
3x2qN-5gx8A:
2.7
3x2qP-5gx8A:
3.1		 3x2qC-5gx8A:
20.67
3x2qN-5gx8A:
20.36
3x2qP-5gx8A:
20.67
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		4 LEU B1109
ASP B1034
THR B1032
TRP B 966
 None
 0.94A 3x2qC-5hb4B:
2.3
3x2qN-5hb4B:
undetectable
3x2qP-5hb4B:
2.3		 3x2qC-5hb4B:
9.55
3x2qN-5hb4B:
14.58
3x2qP-5hb4B:
9.55
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.
5iki CYTOCHROME P450(MEG)

(Bacillus
megaterium) 		PF00067
(p450) 		4 TRP A 318
ASP A  42
THR A  43
TRP A  25
 None
 1.18A 3x2qC-5ikiA:
undetectable
3x2qN-5ikiA:
undetectable
3x2qP-5ikiA:
undetectable		 3x2qC-5ikiA:
19.57
3x2qN-5ikiA:
21.56
3x2qP-5ikiA:
19.57
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 HIS A 386
ASP A 213
THR A 212
HIS A 388
 COH  A 602 (-3.7A)
None
COH  A 602 (-2.4A)
COH  A 602 (-3.3A)
 1.14A 3x2qC-5ikrA:
undetectable
3x2qN-5ikrA:
undetectable
3x2qP-5ikrA:
undetectable		 3x2qC-5ikrA:
20.62
3x2qN-5ikrA:
21.04
3x2qP-5ikrA:
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		4 LEU A 462
ASP A 492
THR A 491
TYR A 494
 None
 0.94A 3x2qC-5irmA:
undetectable
3x2qN-5irmA:
undetectable
3x2qP-5irmA:
undetectable		 3x2qC-5irmA:
15.38
3x2qN-5irmA:
20.45
3x2qP-5irmA:
15.38
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.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 LEU A 238
HIS A 198
ASP A 234
THR A 482
 None
 1.07A 3x2qC-5jxlA:
2.3
3x2qN-5jxlA:
undetectable
3x2qP-5jxlA:
2.3		 3x2qC-5jxlA:
15.73
3x2qN-5jxlA:
20.42
3x2qP-5jxlA:
15.73
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.
5ke1 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin)
PF12951
(PATR) 		4 LEU A 648
ASP A 662
THR A 634
TYR A 635
 None
 1.14A 3x2qC-5ke1A:
undetectable
3x2qN-5ke1A:
undetectable
3x2qP-5ke1A:
undetectable		 3x2qC-5ke1A:
19.42
3x2qN-5ke1A:
21.41
3x2qP-5ke1A:
19.42
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 LEU A 306
TRP A 345
ASP A 318
TRP A 338
 None
 1.13A 3x2qC-5nv8A:
undetectable
3x2qN-5nv8A:
undetectable
3x2qP-5nv8A:
undetectable		 3x2qC-5nv8A:
19.60
3x2qN-5nv8A:
20.56
3x2qP-5nv8A:
19.60
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 4 LEU A 183
THR A   1
TYR A   2
HIS A  34
 None
 0.90A 3x2qC-5nywA:
undetectable
3x2qN-5nywA:
undetectable
3x2qP-5nywA:
undetectable		 3x2qC-5nywA:
22.76
3x2qN-5nywA:
18.50
3x2qP-5nywA:
22.76
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.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 HIS A  61
ASP A  47
THR A  46
TRP A  65
 None
 1.15A 3x2qC-5oh6A:
2.1
3x2qN-5oh6A:
undetectable
3x2qP-5oh6A:
1.9		 3x2qC-5oh6A:
20.00
3x2qN-5oh6A:
16.89
3x2qP-5oh6A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 4 LEU b 369
HIS b  89
TYR b 117
HIS b  67
 CLA  b1831 ( 4.4A)
CLA  b1811 ( 3.9A)
CLA  b1811 ( 4.5A)
CLA  b1810 (-3.9A)
 1.14A 3x2qC-5oy0b:
1.9
3x2qN-5oy0b:
undetectable
3x2qP-5oy0b:
1.9		 3x2qC-5oy0b:
undetectable
3x2qN-5oy0b:
undetectable
3x2qP-5oy0b:
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 TRP A 649
ASP A 659
TRP A 648
HIS A 517
 None
 1.02A 3x2qC-5tr0A:
undetectable
3x2qN-5tr0A:
undetectable
3x2qP-5tr0A:
undetectable		 3x2qC-5tr0A:
14.81
3x2qN-5tr0A:
21.71
3x2qP-5tr0A:
14.81
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		4 LEU A 194
HIS A  21
THR A 138
TYR A 141
 None
 0.84A 3x2qC-5u7wA:
undetectable
3x2qN-5u7wA:
undetectable
3x2qP-5u7wA:
undetectable		 3x2qC-5u7wA:
20.60
3x2qN-5u7wA:
23.37
3x2qP-5u7wA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		4 LEU A 368
ASP A  91
THR A  92
HIS A  65
 None
 0.99A 3x2qC-5w8oA:
undetectable
3x2qN-5w8oA:
undetectable
3x2qP-5w8oA:
undetectable		 3x2qC-5w8oA:
19.78
3x2qN-5w8oA:
20.38
3x2qP-5w8oA:
19.78
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.
5wrj PROTEIN-TYROSINE
SULFOTRANSFERASE 1

(Homo sapiens) 		PF13469
(Sulfotransfer_3) 		4 LEU A 321
ASP A 327
TRP A 249
HIS A 245
 None
 0.89A 3x2qC-5wrjA:
undetectable
3x2qN-5wrjA:
undetectable
3x2qP-5wrjA:
undetectable		 3x2qC-5wrjA:
21.63
3x2qN-5wrjA:
18.38
3x2qP-5wrjA:
21.63
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.11A 3x2qC-5y9dA:
2.2
3x2qN-5y9dA:
2.2
3x2qP-5y9dA:
2.2		 3x2qC-5y9dA:
undetectable
3x2qN-5y9dA:
undetectable
3x2qP-5y9dA:
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 ASP A 635
THR A 634
TYR A 633
HIS A 351
 None
 1.06A 3x2qC-5ys9A:
3.3
3x2qN-5ys9A:
2.6
3x2qP-5ys9A:
3.3		 3x2qC-5ys9A:
undetectable
3x2qN-5ys9A:
undetectable
3x2qP-5ys9A:
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 LEU A 205
TRP A  46
ASP A 233
THR A 232
 None
 0.79A 3x2qC-6c29A:
undetectable
3x2qN-6c29A:
undetectable
3x2qP-6c29A:
undetectable		 3x2qC-6c29A:
undetectable
3x2qN-6c29A:
undetectable
3x2qP-6c29A:
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.
6d14 TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		no annotation 4 LEU A 598
HIS A 525
THR A 615
HIS A 521
 None
 1.14A 3x2qC-6d14A:
undetectable
3x2qN-6d14A:
undetectable
3x2qP-6d14A:
undetectable		 3x2qC-6d14A:
undetectable
3x2qN-6d14A:
undetectable
3x2qP-6d14A:
undetectable