SIMILAR PATTERNS OF AMINO ACIDS FOR 5W97_C_CHDC302

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
 1.17A 5w97C-1cb8A:
0.0
5w97a-1cb8A:
0.0
5w97c-1cb8A:
0.0		 5w97C-1cb8A:
16.94
5w97a-1cb8A:
21.65
5w97c-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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A 315
THR A 172
TRP A  65
HIS A  59
 None
NAJ  A1361 (-3.4A)
None
NAJ  A1361 (-3.9A)
 1.02A 5w97C-1h2bA:
undetectable
5w97a-1h2bA:
0.0
5w97c-1h2bA:
undetectable		 5w97C-1h2bA:
19.62
5w97a-1h2bA:
21.42
5w97c-1h2bA:
19.62
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.
1ikf IGG1-KAPPA R45-45-11
FAB (HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 101
ASP H 103
THR H 104
TYR H 109
 None
 1.18A 5w97C-1ikfH:
undetectable
5w97a-1ikfH:
undetectable
5w97c-1ikfH:
undetectable		 5w97C-1ikfH:
21.91
5w97a-1ikfH:
17.73
5w97c-1ikfH:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 LEU A 251
HIS A  21
THR A 124
TYR A  76
 None
 0.87A 5w97C-1juhA:
undetectable
5w97a-1juhA:
undetectable
5w97c-1juhA:
undetectable		 5w97C-1juhA:
21.41
5w97a-1juhA:
20.45
5w97c-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
 0.96A 5w97C-1lurA:
undetectable
5w97a-1lurA:
undetectable
5w97c-1lurA:
undetectable		 5w97C-1lurA:
21.68
5w97a-1lurA:
21.01
5w97c-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)
 0.95A 5w97C-1ndfA:
1.4
5w97a-1ndfA:
undetectable
5w97c-1ndfA:
1.4		 5w97C-1ndfA:
17.22
5w97a-1ndfA:
20.15
5w97c-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
 1.22A 5w97C-1nj1A:
undetectable
5w97a-1nj1A:
undetectable
5w97c-1nj1A:
undetectable		 5w97C-1nj1A:
18.34
5w97a-1nj1A:
20.07
5w97c-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.
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
 1.19A 5w97C-1p16A:
undetectable
5w97a-1p16A:
undetectable
5w97c-1p16A:
undetectable		 5w97C-1p16A:
20.60
5w97a-1p16A:
20.40
5w97c-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.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 LEU A 145
ASP A 183
THR A 184
HIS A 199
 None
 1.15A 5w97C-1tp7A:
0.0
5w97a-1tp7A:
0.0
5w97c-1tp7A:
0.0		 5w97C-1tp7A:
20.82
5w97a-1tp7A:
22.08
5w97c-1tp7A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5w97C-1uliA:
0.0
5w97a-1uliA:
undetectable
5w97c-1uliA:
0.0		 5w97C-1uliA:
19.61
5w97a-1uliA:
20.04
5w97c-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
 1.01A 5w97C-1uokA:
undetectable
5w97a-1uokA:
0.0
5w97c-1uokA:
undetectable		 5w97C-1uokA:
17.17
5w97a-1uokA:
19.97
5w97c-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
 0.95A 5w97C-1vbc3:
undetectable
5w97a-1vbc3:
undetectable
5w97c-1vbc3:
undetectable		 5w97C-1vbc3:
22.66
5w97a-1vbc3:
18.30
5w97c-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
 1.11A 5w97C-1velA:
5.5
5w97a-1velA:
1.2
5w97c-1velA:
5.5		 5w97C-1velA:
17.80
5w97a-1velA:
17.45
5w97c-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
 1.10A 5w97C-1vknA:
0.0
5w97a-1vknA:
undetectable
5w97c-1vknA:
0.0		 5w97C-1vknA:
22.71
5w97a-1vknA:
21.35
5w97c-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.
1vrm HYPOTHETICAL PROTEIN
TM1553

(Thermotoga
maritima) 		PF02424
(ApbE) 		4 LEU A  53
ASP A 303
THR A 300
TYR A 196
 None
UNL  A   4 (-3.7A)
None
None
 1.13A 5w97C-1vrmA:
0.4
5w97a-1vrmA:
1.0
5w97c-1vrmA:
0.4		 5w97C-1vrmA:
20.42
5w97a-1vrmA:
20.11
5w97c-1vrmA:
20.42
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.
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
 0.92A 5w97C-1wmrA:
undetectable
5w97a-1wmrA:
undetectable
5w97c-1wmrA:
undetectable		 5w97C-1wmrA:
18.10
5w97a-1wmrA:
22.71
5w97c-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 5w97C-1xajA:
undetectable
5w97a-1xajA:
undetectable
5w97c-1xajA:
undetectable		 5w97C-1xajA:
22.31
5w97a-1xajA:
22.14
5w97c-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
 1.12A 5w97C-1xfdA:
undetectable
5w97a-1xfdA:
undetectable
5w97c-1xfdA:
undetectable		 5w97C-1xfdA:
15.42
5w97a-1xfdA:
19.95
5w97c-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 LEU A  52
THR A  19
TYR A  24
HIS A 106
 None
 1.19A 5w97C-1yzwA:
undetectable
5w97a-1yzwA:
undetectable
5w97c-1yzwA:
undetectable		 5w97C-1yzwA:
19.42
5w97a-1yzwA:
17.64
5w97c-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
 0.91A 5w97C-1z7z3:
undetectable
5w97a-1z7z3:
undetectable
5w97c-1z7z3:
undetectable		 5w97C-1z7z3:
23.67
5w97a-1z7z3:
17.82
5w97c-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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		4 LEU A 212
ASP A 207
THR A 206
HIS A  74
 None
 1.05A 5w97C-1zoiA:
undetectable
5w97a-1zoiA:
undetectable
5w97c-1zoiA:
undetectable		 5w97C-1zoiA:
20.86
5w97a-1zoiA:
20.21
5w97c-1zoiA:
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 159
ASP A 199
TRP A 274
HIS A 272
 None
 1.10A 5w97C-2a2aA:
2.4
5w97a-2a2aA:
undetectable
5w97c-2a2aA:
2.4		 5w97C-2a2aA:
22.82
5w97a-2a2aA:
19.52
5w97c-2a2aA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 5w97C-2b2xH:
undetectable
5w97a-2b2xH:
undetectable
5w97c-2b2xH:
undetectable		 5w97C-2b2xH:
22.43
5w97a-2b2xH:
16.86
5w97c-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.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		4 LEU A  57
ASP A  55
TYR A 250
HIS A 142
 None
None
None
PLG  A 500 (-3.4A)
 1.18A 5w97C-2bwpA:
undetectable
5w97a-2bwpA:
undetectable
5w97c-2bwpA:
undetectable		 5w97C-2bwpA:
18.25
5w97a-2bwpA:
23.30
5w97c-2bwpA:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 HIS A 233
ASP A 300
THR A 301
TYR A 304
 None
 0.12A 5w97C-2eijA:
2.7
5w97a-2eijA:
64.6
5w97c-2eijA:
2.7		 5w97C-2eijA:
21.00
5w97a-2eijA:
100.00
5w97c-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 LEU A  85
HIS A 195
ASP A 172
THR A 169
 None
 1.08A 5w97C-2ggqA:
undetectable
5w97a-2ggqA:
undetectable
5w97c-2ggqA:
undetectable		 5w97C-2ggqA:
18.55
5w97a-2ggqA:
20.15
5w97c-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.
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
 1.12A 5w97C-2irwA:
undetectable
5w97a-2irwA:
undetectable
5w97c-2irwA:
undetectable		 5w97C-2irwA:
18.75
5w97a-2irwA:
18.68
5w97c-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
 1.09A 5w97C-2pl5A:
undetectable
5w97a-2pl5A:
undetectable
5w97c-2pl5A:
undetectable		 5w97C-2pl5A:
22.13
5w97a-2pl5A:
21.46
5w97c-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 LEU A 149
ASP A 191
TRP A 296
HIS A 294
 None
 1.19A 5w97C-2pmiA:
1.9
5w97a-2pmiA:
undetectable
5w97c-2pmiA:
1.9		 5w97C-2pmiA:
20.30
5w97a-2pmiA:
18.86
5w97c-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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 107
THR A  80
TYR A 102
HIS A  62
 None
 1.22A 5w97C-2q50A:
undetectable
5w97a-2q50A:
undetectable
5w97c-2q50A:
undetectable		 5w97C-2q50A:
22.87
5w97a-2q50A:
22.80
5w97c-2q50A:
22.87
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.
2qgq PROTEIN TM_1862

(Thermotoga
maritima) 		PF04055
(Radical_SAM) 		4 LEU A 164
ASP A 193
THR A 194
TYR A 197
 None
 0.99A 5w97C-2qgqA:
undetectable
5w97a-2qgqA:
undetectable
5w97c-2qgqA:
undetectable		 5w97C-2qgqA:
19.74
5w97a-2qgqA:
17.72
5w97c-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
 1.04A 5w97C-2vatA:
2.1
5w97a-2vatA:
undetectable
5w97c-2vatA:
2.1		 5w97C-2vatA:
20.27
5w97a-2vatA:
21.62
5w97c-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.
2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Bacillus cereus) 		PF04204
(HTS) 		4 LEU A  54
HIS A 152
THR A 138
HIS A 151
 None
 1.19A 5w97C-2vdjA:
undetectable
5w97a-2vdjA:
undetectable
5w97c-2vdjA:
undetectable		 5w97C-2vdjA:
20.94
5w97a-2vdjA:
20.08
5w97c-2vdjA:
20.94
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 LEU A 493
ASP A 466
THR A 465
TYR A 468
 None
 0.93A 5w97C-2vobA:
undetectable
5w97a-2vobA:
undetectable
5w97c-2vobA:
undetectable		 5w97C-2vobA:
15.17
5w97a-2vobA:
21.23
5w97c-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
 1.22A 5w97C-2xhgA:
undetectable
5w97a-2xhgA:
undetectable
5w97c-2xhgA:
undetectable		 5w97C-2xhgA:
19.86
5w97a-2xhgA:
20.56
5w97c-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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		4 LEU A 159
ASP A 199
TRP A 274
HIS A 272
 None
 1.16A 5w97C-2yabA:
undetectable
5w97a-2yabA:
1.8
5w97c-2yabA:
undetectable		 5w97C-2yabA:
19.28
5w97a-2yabA:
20.30
5w97c-2yabA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 223
ASP A 242
THR A 243
HIS A 298
 None
 1.22A 5w97C-2yq4A:
undetectable
5w97a-2yq4A:
undetectable
5w97c-2yq4A:
undetectable		 5w97C-2yq4A:
21.28
5w97a-2yq4A:
20.92
5w97c-2yq4A:
21.28
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.
2zc2 DNAD-LIKE
REPLICATION PROTEIN

(Streptococcus
mutans) 		PF07261
(DnaB_2) 		4 LEU A 127
ASP A 157
THR A 156
HIS A 188
 None
 1.19A 5w97C-2zc2A:
undetectable
5w97a-2zc2A:
undetectable
5w97c-2zc2A:
undetectable		 5w97C-2zc2A:
13.60
5w97a-2zc2A:
8.28
5w97c-2zc2A:
13.60
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.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF01842
(ACT)
PF13840
(ACT_7) 		4 LEU B 139
HIS B 153
ASP B  12
THR B  11
 None
 1.20A 5w97C-3ab4B:
undetectable
5w97a-3ab4B:
undetectable
5w97c-3ab4B:
undetectable		 5w97C-3ab4B:
19.70
5w97a-3ab4B:
14.29
5w97c-3ab4B:
19.70
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.
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)
 1.19A 5w97C-3aw5A:
undetectable
5w97a-3aw5A:
undetectable
5w97c-3aw5A:
undetectable		 5w97C-3aw5A:
18.91
5w97a-3aw5A:
22.18
5w97c-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 LEU A 159
ASP A 199
TRP A 274
HIS A 272
 None
 1.12A 5w97C-3bqrA:
2.5
5w97a-3bqrA:
undetectable
5w97c-3bqrA:
2.5		 5w97C-3bqrA:
18.12
5w97a-3bqrA:
18.79
5w97c-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 LEU A  16
ASP A 179
THR A 180
HIS A 189
 None
 0.99A 5w97C-3dqpA:
undetectable
5w97a-3dqpA:
undetectable
5w97c-3dqpA:
undetectable		 5w97C-3dqpA:
20.86
5w97a-3dqpA:
17.95
5w97c-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.
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)
 1.07A 5w97C-3ec7A:
undetectable
5w97a-3ec7A:
undetectable
5w97c-3ec7A:
undetectable		 5w97C-3ec7A:
19.29
5w97a-3ec7A:
20.73
5w97c-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
 0.96A 5w97C-3eqqA:
undetectable
5w97a-3eqqA:
undetectable
5w97c-3eqqA:
undetectable		 5w97C-3eqqA:
18.97
5w97a-3eqqA:
21.73
5w97c-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.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		4 LEU A 661
ASP A 654
TYR A 653
HIS A 643
 None
 1.19A 5w97C-3fhnA:
3.5
5w97a-3fhnA:
2.7
5w97c-3fhnA:
3.5		 5w97C-3fhnA:
16.62
5w97a-3fhnA:
20.97
5w97c-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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 LEU A 366
ASP A  79
THR A  80
HIS A  53
 None
 1.12A 5w97C-3i1iA:
undetectable
5w97a-3i1iA:
undetectable
5w97c-3i1iA:
undetectable		 5w97C-3i1iA:
20.51
5w97a-3i1iA:
19.42
5w97c-3i1iA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A  26
ASP A 147
THR A 146
HIS A 238
 None
 1.08A 5w97C-3il7A:
undetectable
5w97a-3il7A:
undetectable
5w97c-3il7A:
undetectable		 5w97C-3il7A:
19.12
5w97a-3il7A:
22.86
5w97c-3il7A:
19.12
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.
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
 1.08A 5w97C-3izyP:
undetectable
5w97a-3izyP:
undetectable
5w97c-3izyP:
undetectable		 5w97C-3izyP:
18.22
5w97a-3izyP:
21.85
5w97c-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
 1.11A 5w97C-3jb9X:
undetectable
5w97a-3jb9X:
undetectable
5w97c-3jb9X:
undetectable		 5w97C-3jb9X:
11.15
5w97a-3jb9X:
16.83
5w97c-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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		4 LEU A2302
HIS A2340
ASP A2244
THR A2245
 None
MGF  A2604 (-3.9A)
None
ADP  A2601 (-4.1A)
 1.21A 5w97C-3jbzA:
3.2
5w97a-3jbzA:
undetectable
5w97c-3jbzA:
3.2		 5w97C-3jbzA:
12.77
5w97a-3jbzA:
17.21
5w97c-3jbzA:
12.77
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.
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
 1.14A 5w97C-3js4A:
undetectable
5w97a-3js4A:
undetectable
5w97c-3js4A:
undetectable		 5w97C-3js4A:
22.68
5w97a-3js4A:
18.43
5w97c-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
 1.04A 5w97C-3lv4A:
undetectable
5w97a-3lv4A:
undetectable
5w97c-3lv4A:
undetectable		 5w97C-3lv4A:
20.65
5w97a-3lv4A:
22.18
5w97c-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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ASP A 642
THR A 652
TYR A 669
HIS A 205
 None
 1.22A 5w97C-3mi6A:
undetectable
5w97a-3mi6A:
undetectable
5w97c-3mi6A:
undetectable		 5w97C-3mi6A:
15.95
5w97a-3mi6A:
21.28
5w97c-3mi6A:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		4 LEU A 648
ASP A 662
THR A 634
TYR A 635
 None
 1.02A 5w97C-3ml3A:
undetectable
5w97a-3ml3A:
undetectable
5w97c-3ml3A:
undetectable		 5w97C-3ml3A:
21.48
5w97a-3ml3A:
18.96
5w97c-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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A   8
ASP A  25
THR A  24
TYR A  23
 None
 0.86A 5w97C-3n0qA:
undetectable
5w97a-3n0qA:
undetectable
5w97c-3n0qA:
undetectable		 5w97C-3n0qA:
21.27
5w97a-3n0qA:
22.04
5w97c-3n0qA:
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.
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)
 1.22A 5w97C-3n58A:
undetectable
5w97a-3n58A:
undetectable
5w97c-3n58A:
undetectable		 5w97C-3n58A:
20.40
5w97a-3n58A:
21.15
5w97c-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)
 1.14A 5w97C-3ox4A:
2.4
5w97a-3ox4A:
undetectable
5w97c-3ox4A:
2.4		 5w97C-3ox4A:
20.96
5w97a-3ox4A:
21.52
5w97c-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.
3p9v UNCHARACTERIZED
PROTEIN

(Marinobacter
hydrocarbonoclasticus) 		PF10604
(Polyketide_cyc2) 		4 LEU A  13
ASP A 143
THR A 144
TYR A 145
 None
 1.15A 5w97C-3p9vA:
undetectable
5w97a-3p9vA:
undetectable
5w97c-3p9vA:
undetectable		 5w97C-3p9vA:
19.92
5w97a-3p9vA:
14.53
5w97c-3p9vA:
19.92
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.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		4 LEU A 258
ASP A   7
THR A   6
HIS A  59
 None
 1.13A 5w97C-3qk7A:
undetectable
5w97a-3qk7A:
undetectable
5w97c-3qk7A:
undetectable		 5w97C-3qk7A:
20.26
5w97a-3qk7A:
20.19
5w97c-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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		4 LEU A  41
ASP A 195
THR A 196
HIS A 127
 None
None
None
EPZ  A 508 (-4.7A)
 1.09A 5w97C-3sweA:
undetectable
5w97a-3sweA:
undetectable
5w97c-3sweA:
undetectable		 5w97C-3sweA:
20.00
5w97a-3sweA:
21.04
5w97c-3sweA:
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 LEU A 126
HIS A 511
ASP A 128
THR A 129
 None
 1.21A 5w97C-3ujzA:
undetectable
5w97a-3ujzA:
undetectable
5w97c-3ujzA:
undetectable		 5w97C-3ujzA:
13.39
5w97a-3ujzA:
19.55
5w97c-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)
 1.02A 5w97C-3v4pA:
undetectable
5w97a-3v4pA:
undetectable
5w97c-3v4pA:
undetectable		 5w97C-3v4pA:
17.92
5w97a-3v4pA:
22.31
5w97c-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.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF01786
(AOX) 		4 LEU A 294
HIS A 206
THR A 154
HIS A 280
 None
 0.93A 5w97C-3vvaA:
3.4
5w97a-3vvaA:
1.5
5w97c-3vvaA:
3.4		 5w97C-3vvaA:
20.30
5w97a-3vvaA:
20.69
5w97c-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.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1

(Homo sapiens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 441
ASP A  37
THR A  22
HIS A 396
 EDO  A1449 ( 4.7A)
EDO  A1449 (-2.9A)
None
None
 1.16A 5w97C-4a35A:
undetectable
5w97a-4a35A:
undetectable
5w97c-4a35A:
undetectable		 5w97C-4a35A:
19.24
5w97a-4a35A:
19.28
5w97c-4a35A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 LEU A 212
ASP A 207
THR A 206
HIS A  74
 None
 1.02A 5w97C-4dgqA:
undetectable
5w97a-4dgqA:
undetectable
5w97c-4dgqA:
undetectable		 5w97C-4dgqA:
20.20
5w97a-4dgqA:
18.30
5w97c-4dgqA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 5w97C-4el8A:
undetectable
5w97a-4el8A:
1.5
5w97c-4el8A:
undetectable		 5w97C-4el8A:
17.87
5w97a-4el8A:
20.22
5w97c-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.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 LEU A 184
THR A 274
TYR A 275
HIS A  65
 None
 1.08A 5w97C-4g0rA:
undetectable
5w97a-4g0rA:
undetectable
5w97c-4g0rA:
undetectable		 5w97C-4g0rA:
16.97
5w97a-4g0rA:
20.65
5w97c-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 LEU A 164
ASP A 193
THR A 194
TYR A 197
 None
FS5  A 501 ( 4.8A)
None
None
 1.10A 5w97C-4jc0A:
undetectable
5w97a-4jc0A:
undetectable
5w97c-4jc0A:
undetectable		 5w97C-4jc0A:
19.73
5w97a-4jc0A:
19.82
5w97c-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.
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
 1.19A 5w97C-4ktpA:
3.3
5w97a-4ktpA:
undetectable
5w97c-4ktpA:
3.3		 5w97C-4ktpA:
14.87
5w97a-4ktpA:
19.54
5w97c-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.
4l3f INTERNALIN K

(Listeria
monocytogenes) 		no annotation 4 LEU A 125
ASP A 105
THR A 107
HIS A 156
 None
 1.22A 5w97C-4l3fA:
undetectable
5w97a-4l3fA:
undetectable
5w97c-4l3fA:
undetectable		 5w97C-4l3fA:
22.54
5w97a-4l3fA:
21.78
5w97c-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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		4 LEU A 113
HIS A  57
THR A 156
TYR A 154
 None
 1.20A 5w97C-4nz0A:
undetectable
5w97a-4nz0A:
undetectable
5w97c-4nz0A:
undetectable		 5w97C-4nz0A:
19.91
5w97a-4nz0A:
22.41
5w97c-4nz0A:
19.91
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 LEU A 348
ASP A 465
THR A 466
TYR A 469
 None
 0.90A 5w97C-4onqA:
undetectable
5w97a-4onqA:
undetectable
5w97c-4onqA:
undetectable		 5w97C-4onqA:
19.61
5w97a-4onqA:
21.07
5w97c-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
 1.09A 5w97C-4orzB:
undetectable
5w97a-4orzB:
undetectable
5w97c-4orzB:
undetectable		 5w97C-4orzB:
18.94
5w97a-4orzB:
13.41
5w97c-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.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii) 		PF01126
(Heme_oxygenase) 		4 LEU A  17
HIS A 125
ASP A 205
HIS A 217
 None
 1.04A 5w97C-4rajA:
2.5
5w97a-4rajA:
undetectable
5w97c-4rajA:
2.5		 5w97C-4rajA:
19.34
5w97a-4rajA:
18.59
5w97c-4rajA:
19.34
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.
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
 1.22A 5w97C-4w8bA:
undetectable
5w97a-4w8bA:
undetectable
5w97c-4w8bA:
undetectable		 5w97C-4w8bA:
22.14
5w97a-4w8bA:
19.46
5w97c-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
 0.94A 5w97C-4xltA:
undetectable
5w97a-4xltA:
undetectable
5w97c-4xltA:
undetectable		 5w97C-4xltA:
18.29
5w97a-4xltA:
12.73
5w97c-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
 1.18A 5w97C-4xlyA:
3.8
5w97a-4xlyA:
1.7
5w97c-4xlyA:
3.8		 5w97C-4xlyA:
19.42
5w97a-4xlyA:
19.80
5w97c-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
 1.13A 5w97C-4yooA:
2.0
5w97a-4yooA:
undetectable
5w97c-4yooA:
2.0		 5w97C-4yooA:
21.08
5w97a-4yooA:
20.71
5w97c-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.
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
 1.02A 5w97C-5az4A:
undetectable
5w97a-5az4A:
undetectable
5w97c-5az4A:
undetectable		 5w97C-5az4A:
15.61
5w97a-5az4A:
21.03
5w97c-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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 LEU A 620
HIS A 199
ASP A 235
THR A 502
 None
 0.90A 5w97C-5az4A:
undetectable
5w97a-5az4A:
undetectable
5w97c-5az4A:
undetectable		 5w97C-5az4A:
15.61
5w97a-5az4A:
21.03
5w97c-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 LEU A 242
HIS A  12
THR A  65
TYR A  64
 None
 1.16A 5w97C-5bv9A:
undetectable
5w97a-5bv9A:
2.3
5w97c-5bv9A:
undetectable		 5w97C-5bv9A:
16.00
5w97a-5bv9A:
20.55
5w97c-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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		4 LEU A 184
ASP A 199
THR A 200
HIS A  62
 None
None
None
G  B  65 ( 4.2A)
 1.22A 5w97C-5czzA:
undetectable
5w97a-5czzA:
1.0
5w97c-5czzA:
undetectable		 5w97C-5czzA:
11.64
5w97a-5czzA:
18.66
5w97c-5czzA:
11.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 4 LEU C 270
HIS C 317
THR C 429
HIS C 357
 None
 1.14A 5w97C-5elpC:
undetectable
5w97a-5elpC:
undetectable
5w97c-5elpC:
undetectable		 5w97C-5elpC:
17.77
5w97a-5elpC:
20.97
5w97c-5elpC:
17.77
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.
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
 1.14A 5w97C-5grsA:
undetectable
5w97a-5grsA:
undetectable
5w97c-5grsA:
undetectable		 5w97C-5grsA:
20.62
5w97a-5grsA:
19.81
5w97c-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.
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)
 1.16A 5w97C-5ikrA:
undetectable
5w97a-5ikrA:
undetectable
5w97c-5ikrA:
undetectable		 5w97C-5ikrA:
20.62
5w97a-5ikrA:
21.04
5w97c-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
 0.96A 5w97C-5irmA:
undetectable
5w97a-5irmA:
undetectable
5w97c-5irmA:
undetectable		 5w97C-5irmA:
15.38
5w97a-5irmA:
20.45
5w97c-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
 1.04A 5w97C-5jxlA:
2.3
5w97a-5jxlA:
undetectable
5w97c-5jxlA:
2.3		 5w97C-5jxlA:
15.73
5w97a-5jxlA:
20.42
5w97c-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
 1.06A 5w97C-5ke1A:
undetectable
5w97a-5ke1A:
undetectable
5w97c-5ke1A:
undetectable		 5w97C-5ke1A:
19.42
5w97a-5ke1A:
21.41
5w97c-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.
5na7 PUTATIVE
DIPEPTIDYL-PEPTIDASE
III

(Bacteroides
thetaiotaomicron) 		no annotation 4 LEU A 241
HIS A 117
ASP A 193
TYR A 191
 None
 1.12A 5w97C-5na7A:
undetectable
5w97a-5na7A:
1.1
5w97c-5na7A:
undetectable		 5w97C-5na7A:
15.94
5w97a-5na7A:
21.17
5w97c-5na7A:
15.94
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 4 LEU A 183
THR A   1
TYR A   2
HIS A  34
 None
 0.94A 5w97C-5nywA:
undetectable
5w97a-5nywA:
undetectable
5w97c-5nywA:
undetectable		 5w97C-5nywA:
22.76
5w97a-5nywA:
18.50
5w97c-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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		4 ASP A 178
THR A 179
TYR A 199
HIS A 111
 None
 1.07A 5w97C-5svcA:
undetectable
5w97a-5svcA:
undetectable
5w97c-5svcA:
undetectable		 5w97C-5svcA:
14.42
5w97a-5svcA:
20.03
5w97c-5svcA:
14.42
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		4 LEU A 194
HIS A  21
THR A 138
TYR A 141
 None
 0.90A 5w97C-5u7wA:
undetectable
5w97a-5u7wA:
undetectable
5w97c-5u7wA:
undetectable		 5w97C-5u7wA:
20.60
5w97a-5u7wA:
23.37
5w97c-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.
5ufy ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 LEU A 451
ASP A 588
THR A 589
TYR A 586
 None
 1.19A 5w97C-5ufyA:
undetectable
5w97a-5ufyA:
undetectable
5w97c-5ufyA:
undetectable		 5w97C-5ufyA:
21.77
5w97a-5ufyA:
17.83
5w97c-5ufyA:
21.77
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.
5ug1 ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 LEU A 451
ASP A 588
THR A 589
TYR A 586
 None
 1.20A 5w97C-5ug1A:
undetectable
5w97a-5ug1A:
undetectable
5w97c-5ug1A:
undetectable		 5w97C-5ug1A:
17.49
5w97a-5ug1A:
15.92
5w97c-5ug1A:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 4 LEU A 253
ASP A 270
TYR A 271
HIS A 404
 None
None
None
CA  A 601 ( 4.8A)
 1.01A 5w97C-5ukhA:
undetectable
5w97a-5ukhA:
undetectable
5w97c-5ukhA:
undetectable		 5w97C-5ukhA:
19.51
5w97a-5ukhA:
20.30
5w97c-5ukhA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		4 LEU A 368
ASP A  91
THR A  92
HIS A  65
 None
 1.03A 5w97C-5w8oA:
undetectable
5w97a-5w8oA:
undetectable
5w97c-5w8oA:
undetectable		 5w97C-5w8oA:
19.78
5w97a-5w8oA:
20.38
5w97c-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
 0.98A 5w97C-5wrjA:
undetectable
5w97a-5wrjA:
undetectable
5w97c-5wrjA:
undetectable		 5w97C-5wrjA:
21.63
5w97a-5wrjA:
18.38
5w97c-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.
5y7o UGGT

(Thermomyces
dupontii) 		PF06427
(UDP-g_GGTase) 		4 LEU A 602
ASP A 418
THR A 655
TYR A 417
 None
 1.19A 5w97C-5y7oA:
undetectable
5w97a-5y7oA:
undetectable
5w97c-5y7oA:
undetectable		 5w97C-5y7oA:
13.77
5w97a-5y7oA:
17.60
5w97c-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
 1.09A 5w97C-5y9dA:
2.2
5w97a-5y9dA:
1.1
5w97c-5y9dA:
2.2		 5w97C-5y9dA:
undetectable
5w97a-5y9dA:
undetectable
5w97c-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.
6fdy -

(-) 		no annotation 4 LEU U 155
ASP U 195
TRP U 269
HIS U 267
 None
 1.21A 5w97C-6fdyU:
undetectable
5w97a-6fdyU:
undetectable
5w97c-6fdyU:
undetectable		 5w97C-6fdyU:
undetectable
5w97a-6fdyU:
undetectable
5w97c-6fdyU:
undetectable