SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDQ_C_CHDC301

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.
1cee GTP-BINDING RHO-LIKE
PROTEIN
WISKOTT-ALDRICH
SYNDROME PROTEIN
WASP

(Homo sapiens;
Homo sapiens) 		PF00071
(Ras)
PF00786
(PBD) 		4 HIS B  17
THR A  25
HIS B  20
LEU A 165
 None
 1.20A 5xdqA-1ceeB:
undetectable
5xdqC-1ceeB:
undetectable
5xdqP-1ceeB:
undetectable		 5xdqA-1ceeB:
8.17
5xdqC-1ceeB:
10.43
5xdqP-1ceeB:
10.43
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 ASP A 246
TYR A 247
HIS A 328
LEU A 196
 None
None
GOL  A1449 ( 4.1A)
None
 1.11A 5xdqA-1h4pA:
0.2
5xdqC-1h4pA:
undetectable
5xdqP-1h4pA:
undetectable		 5xdqA-1h4pA:
21.08
5xdqC-1h4pA:
18.60
5xdqP-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 HIS A  21
THR A 124
TYR A  76
LEU A 251
 None
 0.89A 5xdqA-1juhA:
undetectable
5xdqC-1juhA:
undetectable
5xdqP-1juhA:
undetectable		 5xdqA-1juhA:
20.45
5xdqC-1juhA:
21.41
5xdqP-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
 0.91A 5xdqA-1lurA:
undetectable
5xdqC-1lurA:
undetectable
5xdqP-1lurA:
undetectable		 5xdqA-1lurA:
21.01
5xdqC-1lurA:
21.68
5xdqP-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 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 0.97A 5xdqA-1ndfA:
0.0
5xdqC-1ndfA:
1.4
5xdqP-1ndfA:
1.4		 5xdqA-1ndfA:
20.15
5xdqC-1ndfA:
17.22
5xdqP-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
 1.21A 5xdqA-1nj1A:
0.0
5xdqC-1nj1A:
undetectable
5xdqP-1nj1A:
undetectable		 5xdqA-1nj1A:
20.07
5xdqC-1nj1A:
18.34
5xdqP-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 HIS B  90
TRP B  89
HIS B  94
LEU B 181
 None
BCA  B 272 (-3.5A)
None
None
 1.19A 5xdqA-1nzyB:
undetectable
5xdqC-1nzyB:
undetectable
5xdqP-1nzyB:
undetectable		 5xdqA-1nzyB:
19.38
5xdqC-1nzyB:
22.03
5xdqP-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 TRP A 102
THR A 168
TRP A 474
LEU A 484
 None
 1.07A 5xdqA-1ofmA:
undetectable
5xdqC-1ofmA:
undetectable
5xdqP-1ofmA:
undetectable		 5xdqA-1ofmA:
20.00
5xdqC-1ofmA:
17.28
5xdqP-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 THR A 116
TYR A 117
HIS A 180
LEU A  77
 None
 1.15A 5xdqA-1p16A:
undetectable
5xdqC-1p16A:
undetectable
5xdqP-1p16A:
undetectable		 5xdqA-1p16A:
20.40
5xdqC-1p16A:
20.60
5xdqP-1p16A:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.62A 5xdqA-1qleA:
54.4
5xdqC-1qleA:
2.7
5xdqP-1qleA:
2.7		 5xdqA-1qleA:
53.19
5xdqC-1qleA:
20.59
5xdqP-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 TRP A  30
THR A  67
TYR A  93
HIS A 142
 None
 1.19A 5xdqA-1r8yA:
undetectable
5xdqC-1r8yA:
undetectable
5xdqP-1r8yA:
undetectable		 5xdqA-1r8yA:
21.10
5xdqC-1r8yA:
19.94
5xdqP-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 ASP A  40
THR A  39
TYR A  38
LEU A  25
 None
 1.01A 5xdqA-1uliA:
0.0
5xdqC-1uliA:
undetectable
5xdqP-1uliA:
undetectable		 5xdqA-1uliA:
20.04
5xdqC-1uliA:
19.61
5xdqP-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 ASP A 381
TYR A 383
HIS A 429
LEU A 389
 None
 1.08A 5xdqA-1uokA:
undetectable
5xdqC-1uokA:
undetectable
5xdqP-1uokA:
undetectable		 5xdqA-1uokA:
19.97
5xdqC-1uokA:
17.17
5xdqP-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.
1vel STARVATION-INDUCED
DNA PROTECTING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 ASP A  30
THR A  27
TYR A  28
LEU A  35
 None
 1.18A 5xdqA-1velA:
undetectable
5xdqC-1velA:
5.6
5xdqP-1velA:
5.5		 5xdqA-1velA:
17.45
5xdqC-1velA:
17.80
5xdqP-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
 1.06A 5xdqA-1vknA:
undetectable
5xdqC-1vknA:
undetectable
5xdqP-1vknA:
undetectable		 5xdqA-1vknA:
21.35
5xdqC-1vknA:
22.71
5xdqP-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 ASP A 230
THR A 227
TYR A 225
LEU A 207
 NAG  A1002 (-3.1A)
None
None
None
 0.90A 5xdqA-1wmrA:
undetectable
5xdqC-1wmrA:
undetectable
5xdqP-1wmrA:
undetectable		 5xdqA-1wmrA:
22.71
5xdqC-1wmrA:
18.10
5xdqP-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 HIS A 242
TYR A 180
HIS A 246
LEU A 204
 CRB  A 500 ( 3.9A)
None
CRB  A 500 (-4.1A)
None
 1.11A 5xdqA-1xajA:
undetectable
5xdqC-1xajA:
undetectable
5xdqP-1xajA:
undetectable		 5xdqA-1xajA:
22.14
5xdqC-1xajA:
22.31
5xdqP-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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		4 HIS A 242
TYR A 180
HIS A 246
LEU A 291
 CRB  A 500 ( 3.9A)
None
CRB  A 500 (-4.1A)
None
 1.21A 5xdqA-1xajA:
undetectable
5xdqC-1xajA:
undetectable
5xdqP-1xajA:
undetectable		 5xdqA-1xajA:
22.14
5xdqC-1xajA:
22.31
5xdqP-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
 1.07A 5xdqA-1xfdA:
undetectable
5xdqC-1xfdA:
undetectable
5xdqP-1xfdA:
undetectable		 5xdqA-1xfdA:
19.95
5xdqC-1xfdA:
15.42
5xdqP-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.
1yzw GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Heteractis
crispa) 		PF01353
(GFP) 		4 THR A  19
TYR A  24
HIS A 106
LEU A  52
 None
 1.20A 5xdqA-1yzwA:
undetectable
5xdqC-1yzwA:
undetectable
5xdqP-1yzwA:
undetectable		 5xdqA-1yzwA:
17.64
5xdqC-1yzwA:
19.42
5xdqP-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 HIS 3  96
ASP 3 226
THR 3 227
LEU 3 224
 None
 0.92A 5xdqA-1z7z3:
undetectable
5xdqC-1z7z3:
undetectable
5xdqP-1z7z3:
undetectable		 5xdqA-1z7z3:
17.82
5xdqC-1z7z3:
23.67
5xdqP-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
 1.11A 5xdqA-1zzhA:
undetectable
5xdqC-1zzhA:
undetectable
5xdqP-1zzhA:
undetectable		 5xdqA-1zzhA:
20.08
5xdqC-1zzhA:
21.13
5xdqP-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.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		4 TRP A 134
ASP A 143
TYR A 141
TRP A 113
 None
GOL  A 326 (-2.6A)
None
None
 1.18A 5xdqA-2aamA:
undetectable
5xdqC-2aamA:
undetectable
5xdqP-2aamA:
undetectable		 5xdqA-2aamA:
18.46
5xdqC-2aamA:
19.06
5xdqP-2aamA:
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.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 THR H  33
TYR H  32
TRP L  90
LEU H   4
 None
 1.12A 5xdqA-2b2xH:
undetectable
5xdqC-2b2xH:
undetectable
5xdqP-2b2xH:
undetectable		 5xdqA-2b2xH:
16.86
5xdqC-2b2xH:
22.43
5xdqP-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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 ASP A  78
THR A  77
TYR A  80
TRP A  65
 None
 1.20A 5xdqA-2b61A:
undetectable
5xdqC-2b61A:
undetectable
5xdqP-2b61A:
undetectable		 5xdqA-2b61A:
21.56
5xdqC-2b61A:
22.78
5xdqP-2b61A:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 0.19A 5xdqA-2eijA:
65.3
5xdqC-2eijA:
2.2
5xdqP-2eijA:
2.2		 5xdqA-2eijA:
100.00
5xdqC-2eijA:
21.00
5xdqP-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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 HIS A 195
ASP A 172
THR A 169
LEU A  85
 None
 1.15A 5xdqA-2ggqA:
undetectable
5xdqC-2ggqA:
undetectable
5xdqP-2ggqA:
undetectable		 5xdqA-2ggqA:
20.15
5xdqC-2ggqA:
18.55
5xdqP-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
 1.21A 5xdqA-2gs4A:
undetectable
5xdqC-2gs4A:
4.0
5xdqP-2gs4A:
4.0		 5xdqA-2gs4A:
14.17
5xdqC-2gs4A:
20.32
5xdqP-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 ASP A 259
THR A 265
TYR A 257
LEU A 215
 None
None
None
NAP  A 901 (-4.1A)
 1.12A 5xdqA-2irwA:
undetectable
5xdqC-2irwA:
undetectable
5xdqP-2irwA:
undetectable		 5xdqA-2irwA:
18.68
5xdqC-2irwA:
18.75
5xdqP-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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		4 TRP A 260
ASP A  62
HIS A 268
LEU A  64
 None
 1.20A 5xdqA-2ozeA:
undetectable
5xdqC-2ozeA:
undetectable
5xdqP-2ozeA:
undetectable		 5xdqA-2ozeA:
18.92
5xdqC-2ozeA:
19.29
5xdqP-2ozeA:
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 ASP A  86
THR A  87
HIS A  60
LEU A 362
 None
 1.05A 5xdqA-2pl5A:
undetectable
5xdqC-2pl5A:
undetectable
5xdqP-2pl5A:
undetectable		 5xdqA-2pl5A:
21.46
5xdqC-2pl5A:
22.13
5xdqP-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.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ASP A 191
TRP A 296
HIS A 294
LEU A 149
 None
 1.21A 5xdqA-2pmiA:
undetectable
5xdqC-2pmiA:
2.0
5xdqP-2pmiA:
2.0		 5xdqA-2pmiA:
18.86
5xdqC-2pmiA:
20.30
5xdqP-2pmiA:
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.
2qgq PROTEIN TM_1862

(Thermotoga
maritima) 		PF04055
(Radical_SAM) 		4 ASP A 193
THR A 194
TYR A 197
LEU A 164
 None
 1.02A 5xdqA-2qgqA:
undetectable
5xdqC-2qgqA:
undetectable
5xdqP-2qgqA:
undetectable		 5xdqA-2qgqA:
17.72
5xdqC-2qgqA:
19.74
5xdqP-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 HIS A  57
ASP A 290
HIS A 154
LEU A 214
 None
 1.02A 5xdqA-2vatA:
undetectable
5xdqC-2vatA:
undetectable
5xdqP-2vatA:
undetectable		 5xdqA-2vatA:
21.62
5xdqC-2vatA:
20.27
5xdqP-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 ASP A 466
THR A 465
TYR A 468
LEU A 493
 None
 0.89A 5xdqA-2vobA:
undetectable
5xdqC-2vobA:
undetectable
5xdqP-2vobA:
undetectable		 5xdqA-2vobA:
21.23
5xdqC-2vobA:
15.17
5xdqP-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 HIS A 116
THR A 392
HIS A  36
LEU A 370
 None
 1.20A 5xdqA-2xhgA:
undetectable
5xdqC-2xhgA:
undetectable
5xdqP-2xhgA:
undetectable		 5xdqA-2xhgA:
20.56
5xdqC-2xhgA:
19.86
5xdqP-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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 461
THR A 139
HIS A  94
LEU A  85
 C2O  A 702 (-3.5A)
None
C2O  A 702 ( 3.2A)
None
 1.14A 5xdqA-3aw5A:
undetectable
5xdqC-3aw5A:
undetectable
5xdqP-3aw5A:
undetectable		 5xdqA-3aw5A:
22.18
5xdqC-3aw5A:
18.91
5xdqP-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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 199
TRP A 274
HIS A 272
LEU A 159
 None
 1.19A 5xdqA-3bqrA:
undetectable
5xdqC-3bqrA:
2.5
5xdqP-3bqrA:
2.3		 5xdqA-3bqrA:
18.79
5xdqC-3bqrA:
18.12
5xdqP-3bqrA:
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.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		4 ASP A 179
THR A 180
HIS A 189
LEU A  16
 None
 1.03A 5xdqA-3dqpA:
undetectable
5xdqC-3dqpA:
undetectable
5xdqP-3dqpA:
undetectable		 5xdqA-3dqpA:
17.95
5xdqC-3dqpA:
20.86
5xdqP-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 HIS A  72
TRP A  73
ASP A 149
LEU A 133
 None
 0.91A 5xdqA-3e0jA:
undetectable
5xdqC-3e0jA:
undetectable
5xdqP-3e0jA:
undetectable		 5xdqA-3e0jA:
22.05
5xdqC-3e0jA:
18.12
5xdqP-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)
 1.08A 5xdqA-3ec7A:
undetectable
5xdqC-3ec7A:
undetectable
5xdqP-3ec7A:
undetectable		 5xdqA-3ec7A:
20.73
5xdqC-3ec7A:
19.29
5xdqP-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 ASP A  38
THR A  37
TYR A  36
LEU A  23
 None
 0.97A 5xdqA-3eqqA:
undetectable
5xdqC-3eqqA:
undetectable
5xdqP-3eqqA:
undetectable		 5xdqA-3eqqA:
21.73
5xdqC-3eqqA:
18.97
5xdqP-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 THR A  13
TYR A  16
TRP A 104
LEU A 177
 None
 1.18A 5xdqA-3ffvA:
undetectable
5xdqC-3ffvA:
undetectable
5xdqP-3ffvA:
undetectable		 5xdqA-3ffvA:
14.12
5xdqC-3ffvA:
20.00
5xdqP-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 ASP A 654
TYR A 653
HIS A 643
LEU A 661
 None
 1.16A 5xdqA-3fhnA:
undetectable
5xdqC-3fhnA:
3.9
5xdqP-3fhnA:
3.9		 5xdqA-3fhnA:
20.97
5xdqC-3fhnA:
16.62
5xdqP-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 TRP A 239
ASP A 213
THR A 214
LEU A  77
 None
 1.09A 5xdqA-3h74A:
undetectable
5xdqC-3h74A:
undetectable
5xdqP-3h74A:
undetectable		 5xdqA-3h74A:
21.65
5xdqC-3h74A:
21.50
5xdqP-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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		4 HIS P 238
ASP P 198
THR P 194
LEU P 326
 None
 1.12A 5xdqA-3izyP:
undetectable
5xdqC-3izyP:
undetectable
5xdqP-3izyP:
undetectable		 5xdqA-3izyP:
21.85
5xdqC-3izyP:
18.22
5xdqP-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 ASP X 714
THR X 701
TYR X 700
LEU X 690
 None
 1.16A 5xdqA-3jb9X:
undetectable
5xdqC-3jb9X:
undetectable
5xdqP-3jb9X:
undetectable		 5xdqA-3jb9X:
16.83
5xdqC-3jb9X:
11.15
5xdqP-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)
 1.12A 5xdqA-3jd5j:
undetectable
5xdqC-3jd5j:
undetectable
5xdqP-3jd5j:
undetectable		 5xdqA-3jd5j:
15.59
5xdqC-3jd5j:
18.80
5xdqP-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 TRP B 126
ASP B 136
THR B 133
LEU B 159
 None
 1.15A 5xdqA-3jruB:
undetectable
5xdqC-3jruB:
undetectable
5xdqP-3jruB:
undetectable		 5xdqA-3jruB:
22.30
5xdqC-3jruB:
21.27
5xdqP-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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 HIS A 365
TYR A 384
HIS A 350
LEU A 429
 None
 0.99A 5xdqA-3lv4A:
undetectable
5xdqC-3lv4A:
undetectable
5xdqP-3lv4A:
undetectable		 5xdqA-3lv4A:
22.18
5xdqC-3lv4A:
20.65
5xdqP-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 ASP A 662
THR A 634
TYR A 635
LEU A 648
 None
 1.05A 5xdqA-3ml3A:
undetectable
5xdqC-3ml3A:
undetectable
5xdqP-3ml3A:
undetectable		 5xdqA-3ml3A:
18.96
5xdqC-3ml3A:
21.48
5xdqP-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.
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)
 1.20A 5xdqA-3n58A:
0.0
5xdqC-3n58A:
undetectable
5xdqP-3n58A:
undetectable		 5xdqA-3n58A:
21.15
5xdqC-3n58A:
20.40
5xdqP-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 HIS A 198
THR A 147
HIS A 277
LEU A 133
 FE2  A 501 (-3.3A)
None
NAD  A1385 ( 3.6A)
None
 1.15A 5xdqA-3ox4A:
1.1
5xdqC-3ox4A:
2.4
5xdqP-3ox4A:
2.4		 5xdqA-3ox4A:
21.52
5xdqC-3ox4A:
20.96
5xdqP-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 5xdqA-3qbwA:
undetectable
5xdqC-3qbwA:
undetectable
5xdqP-3qbwA:
undetectable		 5xdqA-3qbwA:
21.43
5xdqC-3qbwA:
21.66
5xdqP-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 ASP A   7
THR A   6
HIS A  59
LEU A 258
 None
 1.14A 5xdqA-3qk7A:
undetectable
5xdqC-3qk7A:
undetectable
5xdqP-3qk7A:
undetectable		 5xdqA-3qk7A:
20.19
5xdqC-3qk7A:
20.26
5xdqP-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 ASP A 125
THR A 126
HIS A 175
LEU A 215
 None
 1.04A 5xdqA-3tzgA:
undetectable
5xdqC-3tzgA:
undetectable
5xdqP-3tzgA:
undetectable		 5xdqA-3tzgA:
17.11
5xdqC-3tzgA:
22.15
5xdqP-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 HIS A 511
ASP A 128
THR A 129
LEU A 126
 None
 1.12A 5xdqA-3ujzA:
undetectable
5xdqC-3ujzA:
undetectable
5xdqP-3ujzA:
undetectable		 5xdqA-3ujzA:
19.55
5xdqC-3ujzA:
13.39
5xdqP-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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		4 HIS A 493
ASP A 401
TYR A 422
LEU A 377
 None
 1.15A 5xdqA-3vsvA:
undetectable
5xdqC-3vsvA:
undetectable
5xdqP-3vsvA:
undetectable		 5xdqA-3vsvA:
21.22
5xdqC-3vsvA:
16.28
5xdqP-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 HIS A 206
THR A 154
HIS A 280
LEU A 294
 None
 0.87A 5xdqA-3vvaA:
1.5
5xdqC-3vvaA:
3.6
5xdqP-3vvaA:
3.6		 5xdqA-3vvaA:
20.69
5xdqC-3vvaA:
20.30
5xdqP-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 ASP A  82
THR A  83
HIS A  58
LEU A 370
 None
 0.93A 5xdqA-3vvlA:
undetectable
5xdqC-3vvlA:
undetectable
5xdqP-3vvlA:
undetectable		 5xdqA-3vvlA:
19.38
5xdqC-3vvlA:
20.36
5xdqP-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.
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
 1.12A 5xdqA-4el8A:
1.7
5xdqC-4el8A:
undetectable
5xdqP-4el8A:
undetectable		 5xdqA-4el8A:
20.22
5xdqC-4el8A:
17.87
5xdqP-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 ASP A 162
THR A 160
TYR A 164
LEU A 166
 None
 1.18A 5xdqA-4ewfA:
undetectable
5xdqC-4ewfA:
undetectable
5xdqP-4ewfA:
undetectable		 5xdqA-4ewfA:
20.12
5xdqC-4ewfA:
21.38
5xdqP-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 THR A 274
TYR A 275
HIS A  65
LEU A 184
 None
 1.05A 5xdqA-4g0rA:
undetectable
5xdqC-4g0rA:
undetectable
5xdqP-4g0rA:
undetectable		 5xdqA-4g0rA:
20.65
5xdqC-4g0rA:
16.97
5xdqP-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.
4jc0 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E RIMO

(Thermotoga
maritima) 		PF00919
(UPF0004)
PF04055
(Radical_SAM) 		4 ASP A 193
THR A 194
TYR A 197
LEU A 164
 FS5  A 501 ( 4.8A)
None
None
None
 1.12A 5xdqA-4jc0A:
undetectable
5xdqC-4jc0A:
undetectable
5xdqP-4jc0A:
undetectable		 5xdqA-4jc0A:
19.82
5xdqC-4jc0A:
19.73
5xdqP-4jc0A:
19.73
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.
4l3a INTERNALIN K

(Listeria
monocytogenes) 		no annotation 4 ASP A 105
THR A 107
HIS A 156
LEU A 125
 None
 1.13A 5xdqA-4l3aA:
undetectable
5xdqC-4l3aA:
undetectable
5xdqP-4l3aA:
undetectable		 5xdqA-4l3aA:
22.20
5xdqC-4l3aA:
18.90
5xdqP-4l3aA:
18.90
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.
4l3f INTERNALIN K

(Listeria
monocytogenes) 		no annotation 4 ASP A 105
THR A 107
HIS A 156
LEU A 125
 None
 1.15A 5xdqA-4l3fA:
undetectable
5xdqC-4l3fA:
undetectable
5xdqP-4l3fA:
undetectable		 5xdqA-4l3fA:
21.78
5xdqC-4l3fA:
22.54
5xdqP-4l3fA:
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 ASP A 465
THR A 466
TYR A 469
LEU A 348
 None
 0.85A 5xdqA-4onqA:
undetectable
5xdqC-4onqA:
undetectable
5xdqP-4onqA:
undetectable		 5xdqA-4onqA:
21.07
5xdqC-4onqA:
19.61
5xdqP-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 ASP C  60
THR C  59
TYR C  58
LEU B 193
 None
 1.13A 5xdqA-4orzC:
undetectable
5xdqC-4orzC:
undetectable
5xdqP-4orzC:
undetectable		 5xdqA-4orzC:
11.54
5xdqC-4orzC:
18.39
5xdqP-4orzC:
18.39
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		4 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.20A 5xdqA-4qwwA:
undetectable
5xdqC-4qwwA:
undetectable
5xdqP-4qwwA:
undetectable		 5xdqA-4qwwA:
22.47
5xdqC-4qwwA:
18.44
5xdqP-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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		4 HIS A 179
ASP A 285
TYR A 296
HIS A 110
 GOL  A 401 (-3.9A)
None
None
GOL  A 401 (-4.2A)
 1.19A 5xdqA-4rnlA:
undetectable
5xdqC-4rnlA:
undetectable
5xdqP-4rnlA:
undetectable		 5xdqA-4rnlA:
19.58
5xdqC-4rnlA:
20.62
5xdqP-4rnlA:
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.
4w8b EXO-XYLOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.15A 5xdqA-4w8bA:
undetectable
5xdqC-4w8bA:
undetectable
5xdqP-4w8bA:
undetectable		 5xdqA-4w8bA:
19.46
5xdqC-4w8bA:
22.14
5xdqP-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 HIS A  41
ASP A  51
THR A  52
LEU A 123
 None
 1.02A 5xdqA-4xltA:
undetectable
5xdqC-4xltA:
undetectable
5xdqP-4xltA:
undetectable		 5xdqA-4xltA:
12.73
5xdqC-4xltA:
18.29
5xdqP-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
 1.09A 5xdqA-4xlyA:
undetectable
5xdqC-4xlyA:
3.8
5xdqP-4xlyA:
3.8		 5xdqA-4xlyA:
19.80
5xdqC-4xlyA:
19.42
5xdqP-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 HIS A 839
ASP A 805
HIS A 877
LEU A 810
 None
 1.13A 5xdqA-4yooA:
undetectable
5xdqC-4yooA:
2.4
5xdqP-4yooA:
2.4		 5xdqA-4yooA:
20.71
5xdqC-4yooA:
21.08
5xdqP-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)
 0.98A 5xdqA-5a8qA:
undetectable
5xdqC-5a8qA:
undetectable
5xdqP-5a8qA:
undetectable		 5xdqA-5a8qA:
22.09
5xdqC-5a8qA:
18.73
5xdqP-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 HIS A 199
ASP A 235
THR A 502
LEU A 239
 None
 1.04A 5xdqA-5az4A:
undetectable
5xdqC-5az4A:
undetectable
5xdqP-5az4A:
undetectable		 5xdqA-5az4A:
21.03
5xdqC-5az4A:
15.61
5xdqP-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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 HIS A  12
THR A  65
TYR A  64
LEU A 242
 None
 1.21A 5xdqA-5bv9A:
2.1
5xdqC-5bv9A:
undetectable
5xdqP-5bv9A:
undetectable		 5xdqA-5bv9A:
20.55
5xdqC-5bv9A:
16.00
5xdqP-5bv9A:
16.00
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.
5grs STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 ASP A 727
THR A 720
TRP A 773
LEU A 674
 None
 1.13A 5xdqA-5grsA:
undetectable
5xdqC-5grsA:
undetectable
5xdqP-5grsA:
undetectable		 5xdqA-5grsA:
19.81
5xdqC-5grsA:
20.62
5xdqP-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 HIS A  61
THR A  54
TYR A  55
LEU A 382
 None
 1.15A 5xdqA-5gslA:
undetectable
5xdqC-5gslA:
undetectable
5xdqP-5gslA:
undetectable		 5xdqA-5gslA:
20.36
5xdqC-5gslA:
14.85
5xdqP-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 ASP A 282
THR A 281
TRP A 163
LEU A 218
 None
 1.11A 5xdqA-5gx8A:
undetectable
5xdqC-5gx8A:
3.1
5xdqP-5gx8A:
3.1		 5xdqA-5gx8A:
20.36
5xdqC-5gx8A:
20.67
5xdqP-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 ASP B1034
THR B1032
TRP B 966
LEU B1109
 None
 0.98A 5xdqA-5hb4B:
undetectable
5xdqC-5hb4B:
4.8
5xdqP-5hb4B:
2.3		 5xdqA-5hb4B:
14.58
5xdqC-5hb4B:
9.55
5xdqP-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
 1.13A 5xdqA-5ikiA:
undetectable
5xdqC-5ikiA:
undetectable
5xdqP-5ikiA:
undetectable		 5xdqA-5ikiA:
21.56
5xdqC-5ikiA:
19.57
5xdqP-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)
 1.15A 5xdqA-5ikrA:
undetectable
5xdqC-5ikrA:
undetectable
5xdqP-5ikrA:
undetectable		 5xdqA-5ikrA:
21.04
5xdqC-5ikrA:
20.62
5xdqP-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 ASP A 492
THR A 491
TYR A 494
LEU A 462
 None
 0.93A 5xdqA-5irmA:
undetectable
5xdqC-5irmA:
undetectable
5xdqP-5irmA:
undetectable		 5xdqA-5irmA:
20.45
5xdqC-5irmA:
15.38
5xdqP-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 HIS A 198
ASP A 234
THR A 482
LEU A 238
 None
 1.07A 5xdqA-5jxlA:
undetectable
5xdqC-5jxlA:
2.7
5xdqP-5jxlA:
2.7		 5xdqA-5jxlA:
20.42
5xdqC-5jxlA:
15.73
5xdqP-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 ASP A 662
THR A 634
TYR A 635
LEU A 648
 None
 1.11A 5xdqA-5ke1A:
undetectable
5xdqC-5ke1A:
undetectable
5xdqP-5ke1A:
undetectable		 5xdqA-5ke1A:
21.41
5xdqC-5ke1A:
19.42
5xdqP-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.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 4 ASP A  19
TYR A  17
HIS A 155
LEU A  14
 None
 1.14A 5xdqA-5n9mA:
undetectable
5xdqC-5n9mA:
undetectable
5xdqP-5n9mA:
undetectable		 5xdqA-5n9mA:
undetectable
5xdqC-5n9mA:
undetectable
5xdqP-5n9mA:
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 TRP A 345
ASP A 318
TRP A 338
LEU A 306
 None
 1.19A 5xdqA-5nv8A:
undetectable
5xdqC-5nv8A:
undetectable
5xdqP-5nv8A:
undetectable		 5xdqA-5nv8A:
20.56
5xdqC-5nv8A:
19.60
5xdqP-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 THR A   1
TYR A   2
HIS A  34
LEU A 183
 None
 0.93A 5xdqA-5nywA:
undetectable
5xdqC-5nywA:
undetectable
5xdqP-5nywA:
undetectable		 5xdqA-5nywA:
18.50
5xdqC-5nywA:
22.76
5xdqP-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
 1.16A 5xdqA-5oh6A:
undetectable
5xdqC-5oh6A:
2.4
5xdqP-5oh6A:
2.1		 5xdqA-5oh6A:
16.89
5xdqC-5oh6A:
20.00
5xdqP-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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 TRP A 649
ASP A 659
TRP A 648
HIS A 517
 None
 1.01A 5xdqA-5tr0A:
undetectable
5xdqC-5tr0A:
undetectable
5xdqP-5tr0A:
undetectable		 5xdqA-5tr0A:
21.71
5xdqC-5tr0A:
14.81
5xdqP-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.
5u7g CREB-BINDING PROTEIN

(Mus musculus) 		PF00439
(Bromodomain)
PF00569
(ZZ)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		4 TRP A1473
ASP A1436
TYR A1434
LEU A1669
 None
 1.22A 5xdqA-5u7gA:
2.3
5xdqC-5u7gA:
undetectable
5xdqP-5u7gA:
undetectable		 5xdqA-5u7gA:
19.53
5xdqC-5u7gA:
15.99
5xdqP-5u7gA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		4 HIS A  21
THR A 138
TYR A 141
LEU A 194
 None
 0.86A 5xdqA-5u7wA:
undetectable
5xdqC-5u7wA:
undetectable
5xdqP-5u7wA:
undetectable		 5xdqA-5u7wA:
23.37
5xdqC-5u7wA:
20.60
5xdqP-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 ASP A  91
THR A  92
HIS A  65
LEU A 368
 None
 1.00A 5xdqA-5w8oA:
undetectable
5xdqC-5w8oA:
undetectable
5xdqP-5w8oA:
undetectable		 5xdqA-5w8oA:
20.38
5xdqC-5w8oA:
19.78
5xdqP-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 ASP A 327
TRP A 249
HIS A 245
LEU A 321
 None
 0.99A 5xdqA-5wrjA:
undetectable
5xdqC-5wrjA:
undetectable
5xdqP-5wrjA:
undetectable		 5xdqA-5wrjA:
18.38
5xdqC-5wrjA:
21.63
5xdqP-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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 4 HIS C 704
THR C 630
TRP C 722
LEU C 779
 None
EDO  C 901 (-4.0A)
None
None
 1.21A 5xdqA-5x6xC:
undetectable
5xdqC-5x6xC:
undetectable
5xdqP-5x6xC:
undetectable		 5xdqA-5x6xC:
undetectable
5xdqC-5x6xC:
undetectable
5xdqP-5x6xC:
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.
5y7o UGGT

(Thermomyces
dupontii) 		PF06427
(UDP-g_GGTase) 		4 ASP A 418
THR A 655
TYR A 417
LEU A 602
 None
 1.16A 5xdqA-5y7oA:
2.3
5xdqC-5y7oA:
undetectable
5xdqP-5y7oA:
undetectable		 5xdqA-5y7oA:
17.60
5xdqC-5y7oA:
13.77
5xdqP-5y7oA:
13.77
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.12A 5xdqA-5y9dA:
0.1
5xdqC-5y9dA:
2.3
5xdqP-5y9dA:
2.2		 5xdqA-5y9dA:
undetectable
5xdqC-5y9dA:
undetectable
5xdqP-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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 TRP A  46
ASP A 233
THR A 232
LEU A 205
 None
 0.84A 5xdqA-6c29A:
undetectable
5xdqC-6c29A:
undetectable
5xdqP-6c29A:
undetectable		 5xdqA-6c29A:
undetectable
5xdqC-6c29A:
undetectable
5xdqP-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 HIS A 525
THR A 615
HIS A 521
LEU A 598
 None
 1.11A 5xdqA-6d14A:
undetectable
5xdqC-6d14A:
undetectable
5xdqP-6d14A:
undetectable		 5xdqA-6d14A:
undetectable
5xdqC-6d14A:
undetectable
5xdqP-6d14A:
undetectable