SIMILAR PATTERNS OF AMINO ACIDS FOR 3KEE_D_30BD500

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.
1a8q BROMOPEROXIDASE A1

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		5 HIS A 252
ASP A 223
GLY A  27
SER A  94
ALA A 255
 None
 1.04A 3keeD-1a8qA:
undetectable		 3keeD-1a8qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		5 GLN L 111
ASP L 490
PHE L 117
ALA L 121
ALA L 122
 None
 1.09A 3keeD-1cc1L:
undetectable		 3keeD-1cc1L:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		10 GLN A  41
HIS A  57
GLY A  58
ASP A  81
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.55A 3keeD-1cu1A:
32.3		 3keeD-1cu1A:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		7 GLN A  41
HIS A  57
GLY A  58
ASP A  81
LYS A 136
GLY A 137
ASP A 168
 None
 0.75A 3keeD-1cu1A:
32.3		 3keeD-1cu1A:
32.92
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 GLN A 240
HIS A 264
GLY A 242
GLY A 224
ALA A 255
 FAD  A 399 (-3.9A)
FAD  A 399 (-3.9A)
FAD  A 399 (-3.1A)
None
None
 1.08A 3keeD-1efpA:
undetectable		 3keeD-1efpA:
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.
1efv ELECTRON TRANSFER
FLAVOPROTEIN

(Homo sapiens) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 GLN A 262
HIS A 286
GLY A 264
GLY A 246
ALA A 277
 FAD  A 599 (-3.8A)
FAD  A 599 (-3.8A)
FAD  A 599 (-3.1A)
None
None
 1.04A 3keeD-1efvA:
undetectable		 3keeD-1efvA:
21.67
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.
1ep5 CAPSID PROTEIN C

(Venezuelan
equine
encephalitis
virus) 		no annotation 5 HIS B 152
ASP B 174
LYS B 223
GLY B 224
SER B 226
 None
 0.98A 3keeD-1ep5B:
12.2		 3keeD-1ep5B:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.08A 3keeD-1evqA:
undetectable		 3keeD-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		5 GLN H  61
HIS H  57
ASP H 102
GLY H 193
SER H 195
 None
 0.81A 3keeD-1kigH:
10.5		 3keeD-1kigH:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 GLN A  41
HIS A  57
ASP A  81
GLY A 137
SER A 139
ASP A 168
 None
 1.07A 3keeD-1ns3A:
32.6		 3keeD-1ns3A:
96.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		8 GLN A  41
HIS A  57
GLY A  58
ASP A  81
GLY A 137
ALA A 156
ALA A 157
ASP A 168
 None
 0.84A 3keeD-1ns3A:
32.6		 3keeD-1ns3A:
96.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 HIS A  57
GLY A  58
ASP A  81
GLY A 137
ARG A 155
ASP A 168
 None
 1.21A 3keeD-1ns3A:
32.6		 3keeD-1ns3A:
96.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		8 HIS A  57
GLY A  58
ASP A  81
GLY A 137
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.65A 3keeD-1ns3A:
32.6		 3keeD-1ns3A:
96.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 LYS A 136
GLY A 137
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.97A 3keeD-1ns3A:
32.6		 3keeD-1ns3A:
96.26
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.
1p3c GLUTAMYL-ENDOPEPTIDA
SE

(Bacillus
intermedius) 		PF00089
(Trypsin) 		5 HIS A  47
ASP A  97
GLY A 169
SER A 171
ALA A 188
 None
 0.73A 3keeD-1p3cA:
11.8		 3keeD-1p3cA:
21.70
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  76
GLY A 104
SER A  93
ALA A  95
ALA A 109
 None
 1.04A 3keeD-1p9hA:
undetectable		 3keeD-1p9hA:
21.34
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  90
GLY A 118
SER A 107
ALA A 109
ALA A 123
 None
 1.04A 3keeD-1p9hA:
undetectable		 3keeD-1p9hA:
21.34
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.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 131
GLY A 210
ARG A 138
ALA A  87
ASP A  84
 NDP  A 310 ( 4.1A)
NDP  A 310 ( 3.7A)
None
None
None
 1.05A 3keeD-1qp8A:
undetectable		 3keeD-1qp8A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		5 HIS G  57
ASP G 102
LYS G 192
GLY G 193
SER G 195
 None
 0.82A 3keeD-1sgfG:
11.4		 3keeD-1sgfG:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wu0 ATP SYNTHASE C CHAIN

(Bacillus sp.
PS3) 		PF00137
(ATP-synt_C) 		5 GLY A  62
GLY A  15
ARG A  72
ALA A   9
ALA A   8
 None
 0.95A 3keeD-1wu0A:
undetectable		 3keeD-1wu0A:
17.68
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.
1y8t HYPOTHETICAL PROTEIN
RV0983

(Mycobacterium
tuberculosis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A  49
ASP A  88
GLY A 167
SER A 169
ALA A 186
 None
 0.82A 3keeD-1y8tA:
13.9		 3keeD-1y8tA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 GLY C 476
PHE C 498
ARG C 492
ALA C 496
ASP C 497
 None
 1.12A 3keeD-2advC:
undetectable		 3keeD-2advC:
17.66
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.
2aip PROTEIN C ACTIVATOR

(Agkistrodon
contortrix) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
LYS A 192
GLY A 193
SER A 195
 SO4  A 301 (-3.8A)
None
SO4  A 301 (-4.4A)
SO4  A 301 (-3.9A)
SO4  A 301 (-2.8A)
 1.11A 3keeD-2aipA:
11.6		 3keeD-2aipA:
21.49
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.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 GLY A 201
GLY A 230
ARG A 342
ALA A 343
ASP A 340
 None
 1.09A 3keeD-2b42A:
undetectable		 3keeD-2b42A:
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.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLN A  62
ASP A  93
GLY A  30
ARG A 107
ASP A 212
 None
 1.13A 3keeD-2d3aA:
undetectable		 3keeD-2d3aA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 GLN C 120
GLY C 128
ALA C 160
ALA C 161
ASP C 159
 None
 0.93A 3keeD-2d6fC:
undetectable		 3keeD-2d6fC:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 GLY A 362
LYS A 307
ARG A 354
ALA A 273
ALA A 274
 None
 1.11A 3keeD-2ftwA:
undetectable		 3keeD-2ftwA:
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 225
GLY A 267
PHE A 295
ALA A 273
ALA A 274
 PLP  A 400 (-3.5A)
None
None
None
None
 0.95A 3keeD-2isqA:
undetectable		 3keeD-2isqA:
21.14
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.
2kbe ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD) 		5 GLY A 249
GLY A 217
ALA A 169
ALA A 175
ASP A 239
 None
 1.02A 3keeD-2kbeA:
undetectable		 3keeD-2kbeA:
21.61
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.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 HIS A 487
ASP A 541
LYS A 656
GLY A 657
SER A 659
 None
 1.05A 3keeD-2odpA:
9.8		 3keeD-2odpA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ASP A 281
GLY A  37
ALA A 293
ALA A 294
ASP A 296
 FAD  A 400 (-2.7A)
None
FAD  A 400 (-3.6A)
None
None
 1.05A 3keeD-2q0lA:
undetectable		 3keeD-2q0lA:
24.30
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.
2qv5 UNCHARACTERIZED
PROTEIN ATU2773

(Agrobacterium
fabrum) 		PF04748
(Polysacc_deac_2) 		5 GLY A 210
GLY A 205
ARG A 215
ALA A 220
ASP A 219
 None
 1.11A 3keeD-2qv5A:
undetectable		 3keeD-2qv5A:
26.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz4 PARAPLEGIN

(Homo sapiens) 		PF00004
(AAA) 		5 GLY A 313
GLY A 518
PHE A 489
ARG A 486
ALA A 510
 None
ADP  A 700 (-3.4A)
None
None
None
 0.81A 3keeD-2qz4A:
undetectable		 3keeD-2qz4A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 GLY A 163
ARG A  25
ALA A  22
ALA A  19
ASP A  21
 None
 0.98A 3keeD-2r4jA:
undetectable		 3keeD-2r4jA:
16.10
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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		6 GLY A 165
SER A 170
ARG A  81
ALA A 172
ALA A 121
ASP A 122
 None
 1.47A 3keeD-2r7dA:
undetectable		 3keeD-2r7dA:
16.70
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.
2vid SERINE PROTEASE SPLB

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 HIS A  39
ASP A  77
GLY A 155
SER A 157
ALA A 174
 None
 0.76A 3keeD-2vidA:
13.2		 3keeD-2vidA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 174
GLY A 403
SER A 401
ALA A 410
ALA A 290
 None
TLM  A1424 (-3.9A)
None
None
None
 1.13A 3keeD-2wgeA:
undetectable		 3keeD-2wgeA:
16.95
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.
2xqh IMMUNOGLOBULIN-BINDI
NG PROTEIN EIBD

(Escherichia
coli) 		PF05658
(YadA_head) 		5 GLY A 166
GLY A 194
SER A 183
ALA A 185
ALA A 199
 None
 1.12A 3keeD-2xqhA:
undetectable		 3keeD-2xqhA:
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.
2xqh IMMUNOGLOBULIN-BINDI
NG PROTEIN EIBD

(Escherichia
coli) 		PF05658
(YadA_head) 		5 GLY A 173
GLY A 201
ALA A 192
ALA A 206
ASP A 193
 None
 1.08A 3keeD-2xqhA:
undetectable		 3keeD-2xqhA:
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro) 		5 GLY C 136
GLY C 101
SER C 133
ALA C 148
ASP C 146
 SF4  C1413 ( 3.8A)
None
None
None
None
 1.12A 3keeD-2ynmC:
undetectable		 3keeD-2ynmC:
16.82
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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		5 HIS A 300
GLY A 293
ASP A 269
GLY A  83
SER A 176
 None
 1.05A 3keeD-3ajaA:
undetectable		 3keeD-3ajaA:
20.70
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 HIS A 125
ASP A 153
GLY A 257
SER A 259
ALA A 281
 None
 0.76A 3keeD-3ak5A:
7.2		 3keeD-3ak5A:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cea MYO-INOSITOL
2-DEHYDROGENASE

(Lactobacillus
plantarum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 HIS A  22
GLY A 128
ARG A  21
ALA A 296
ASP A 294
 None
 1.05A 3keeD-3ceaA:
undetectable		 3keeD-3ceaA:
18.87
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.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		5 HIS A 241
ASP A 188
PHE A 162
ALA A 161
ALA A 136
 SO4  A 259 ( 4.6A)
None
None
None
None
 1.12A 3keeD-3g7nA:
undetectable		 3keeD-3g7nA:
19.85
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 GLN A 382
HIS A 226
ASP A 186
GLY A 384
ALA A 290
 None
 1.10A 3keeD-3gcwA:
undetectable		 3keeD-3gcwA:
17.74
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 GLN A 382
HIS A 226
ASP A 186
GLY A 384
SER A 386
 None
 0.96A 3keeD-3gcwA:
undetectable		 3keeD-3gcwA:
17.74
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.
3gdi PERIOD CIRCADIAN
PROTEIN HOMOLOG 2

(Mus musculus) 		PF08447
(PAS_3) 		5 GLY A 275
SER A 273
ARG A 271
ALA A 230
ASP A 233
 None
 1.07A 3keeD-3gdiA:
undetectable		 3keeD-3gdiA:
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.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.07A 3keeD-3heaA:
undetectable		 3keeD-3heaA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 GLN A 389
HIS A 187
ASP A 140
GLY A 391
SER A 393
 None
 0.80A 3keeD-3qfhA:
undetectable		 3keeD-3qfhA:
16.03
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.
3qo6 PROTEASE DO-LIKE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A 173
ASP A 203
GLY A 280
SER A 282
ALA A 299
 None
 0.78A 3keeD-3qo6A:
14.6		 3keeD-3qo6A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 ASP A 281
GLY A  37
ALA A 293
ALA A 294
ASP A 296
 FAD  A 501 (-3.3A)
None
FAD  A 501 (-3.4A)
None
None
 1.02A 3keeD-3r9uA:
undetectable		 3keeD-3r9uA:
20.80
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 HIS A 287
GLY A 288
ASP A 417
GLY A 302
ALA A 439
 FRU  A 902 (-4.0A)
None
None
FRU  A 902 ( 2.2A)
FRU  A 902 ( 3.7A)
 0.92A 3keeD-3s29A:
undetectable		 3keeD-3s29A:
13.85
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  36
GLY A  64
SER A  53
ALA A  55
ALA A  69
 None
 1.11A 3keeD-3s6lA:
undetectable		 3keeD-3s6lA:
25.25
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  50
GLY A  78
SER A  67
ALA A  69
ALA A  83
 None
 1.08A 3keeD-3s6lA:
undetectable		 3keeD-3s6lA:
25.25
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  92
GLY A 120
SER A 109
ALA A 111
ALA A 125
 None
 1.07A 3keeD-3s6lA:
undetectable		 3keeD-3s6lA:
25.25
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A  82
ASP A 112
GLY A 185
SER A 187
ALA A 204
 None
 0.67A 3keeD-3stjA:
14.5		 3keeD-3stjA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 HIS A  39
ASP A  78
GLY A 152
SER A 154
ALA A 171
 VPF  A 201 (-3.8A)
None
VPF  A 201 (-3.3A)
VPF  A 201 (-1.7A)
VPF  A 201 (-4.9A)
 0.83A 3keeD-3ufaA:
12.8		 3keeD-3ufaA:
22.22
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		5 GLY A 151
ARG A 161
ALA A 127
ALA A 130
ASP A 128
 None
 1.09A 3keeD-3vvlA:
undetectable		 3keeD-3vvlA:
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 HIS A 281
ASP A 251
GLY A  84
SER A 156
ALA A 284
 None
 1.13A 3keeD-3wj2A:
undetectable		 3keeD-3wj2A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 GLY A 241
GLY A 150
SER A 153
PHE A 296
ALA A 300
 None
 1.10A 3keeD-4a01A:
undetectable		 3keeD-4a01A:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 333
GLY A 375
PHE A 403
ALA A 381
ALA A 382
 PLP  A 500 (-3.6A)
None
None
None
None
 1.08A 3keeD-4aecA:
undetectable		 3keeD-4aecA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 HIS A 191
GLY A 231
GLY A 217
ALA A 189
ASP A 182
 None
CIT  A1349 (-3.6A)
None
None
HEM  A 500 (-4.7A)
 1.12A 3keeD-4bm1A:
undetectable		 3keeD-4bm1A:
20.81
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		5 GLY A 183
SER A 181
ALA A 228
ALA A 234
ASP A 233
 None
 1.03A 3keeD-4cp8A:
undetectable		 3keeD-4cp8A:
15.81
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		5 GLY A 100
ARG A 109
ALA A  76
ALA A  79
ASP A  77
 None
 1.11A 3keeD-4dgqA:
undetectable		 3keeD-4dgqA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A 350
GLY A 356
ARG A 394
ALA A 393
ASP A 428
 None
 1.07A 3keeD-4eudA:
undetectable		 3keeD-4eudA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fbl LIPS LIPOLYTIC
ENZYME

(unidentified) 		PF12146
(Hydrolase_4) 		5 HIS A  87
GLY A  60
GLY A 128
ALA A  99
ASP A 101
 None
SPD  A 301 ( 3.8A)
None
None
None
 1.13A 3keeD-4fblA:
undetectable		 3keeD-4fblA:
21.92
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 GLY A  51
GLY A  63
SER A  64
PHE A  68
ALA A 131
 CA  A 402 ( 4.7A)
None
CA  A 402 (-2.4A)
None
None
 1.03A 3keeD-4fcsA:
undetectable		 3keeD-4fcsA:
17.24
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A  38
GLY A 272
SER A 752
ALA A 239
ALA A 236
 None
 1.04A 3keeD-4iigA:
undetectable		 3keeD-4iigA:
13.65
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.
4inl SERINE PROTEASE SPLD

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 HIS A  39
ASP A  78
GLY A 154
SER A 156
ALA A 173
 None
 0.77A 3keeD-4inlA:
13.3		 3keeD-4inlA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLY A 518
SER A 514
PHE A 491
ARG A 257
ASP A  11
 FAD  A 601 ( 3.5A)
None
None
None
None
 0.96A 3keeD-4iv9A:
undetectable		 3keeD-4iv9A:
16.34
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 HIS A 123
ASP A  92
GLY A 332
SER A 334
ALA A 204
 None
 1.04A 3keeD-4kpgA:
undetectable		 3keeD-4kpgA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT

(Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 GLN A 266
HIS A 290
GLY A 268
GLY A 250
ALA A 281
 FAD  A 401 (-4.1A)
FAD  A 401 (-3.9A)
FAD  A 401 (-3.3A)
None
None
 1.06A 3keeD-4kpuA:
undetectable		 3keeD-4kpuA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 GLN A 278
GLY A 247
ARG A 274
ALA A 282
ALA A 283
 None
 1.10A 3keeD-4ls9A:
undetectable		 3keeD-4ls9A:
20.76
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 HIS A 123
ASP A  92
GLY A 332
SER A 334
ALA A 204
 None
 0.95A 3keeD-4m1zA:
undetectable		 3keeD-4m1zA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		5 HIS A 306
ASP A 259
GLY A 510
SER A 512
ALA A 364
 None
 0.72A 3keeD-4mzdA:
undetectable		 3keeD-4mzdA:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		12 GLN A  41
HIS A  57
GLY A  58
ASP A  81
LYS A 136
GLY A 137
SER A 139
PHE A 154
ARG A 155
ALA A 156
ALA A 157
ASP A 168
 2R8  A 301 ( 3.5A)
2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
2R8  A 301 (-3.6A)
GOL  A 310 ( 2.6A)
GOL  A 305 ( 3.2A)
2R8  A 301 (-2.6A)
2R8  A 301 (-3.7A)
2R8  A 301 (-3.6A)
2R8  A 301 (-3.1A)
2R8  A 301 (-3.8A)
2R8  A 301 ( 4.5A)
 0.45A 3keeD-4nwkA:
31.0		 3keeD-4nwkA:
75.36
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 GLN B 382
HIS B 226
ASP B 186
GLY B 384
ALA B 290
 None
 1.05A 3keeD-4ov6B:
undetectable		 3keeD-4ov6B:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 GLN B 382
HIS B 226
ASP B 186
GLY B 384
SER B 386
 None
 0.94A 3keeD-4ov6B:
undetectable		 3keeD-4ov6B:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 HIS A 273
GLY A 274
ASP A 404
GLY A 288
ALA A 426
 None
 0.95A 3keeD-4rbnA:
undetectable		 3keeD-4rbnA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x2x NS6 PROTEASE

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 HIS A  30
ASP A  54
GLY A 137
ALA A 159
ALA A 160
 None
 0.61A 3keeD-4x2xA:
11.5		 3keeD-4x2xA:
22.50
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS H  57
ASP H 102
LYS H 192
GLY H 193
SER H 195
 0Z7  H 501 (-2.6A)
0Z7  H 501 (-3.3A)
0Z7  H 501 (-2.9A)
0Z7  H 501 (-3.2A)
0Z7  H 501 (-1.4A)
 1.13A 3keeD-4ylqH:
10.4		 3keeD-4ylqH:
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.
5ajh CUTINASE

(Fusarium
oxysporum) 		PF01083
(Cutinase) 		5 GLY A  47
GLY A  75
ARG A  21
ALA A  25
ASP A  23
 None
None
None
MPD  A1219 ( 4.0A)
None
 1.02A 3keeD-5ajhA:
undetectable		 3keeD-5ajhA:
25.32
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 HIS A 224
GLY A 223
ASP A 246
ALA A 243
ALA A 303
 None
 0.98A 3keeD-5cykA:
undetectable		 3keeD-5cykA:
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.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		5 GLY A 146
GLY A 149
ARG A 223
ALA A  51
ASP A  53
 None
 1.13A 3keeD-5eebA:
undetectable		 3keeD-5eebA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLN A 265
GLY A 267
SER A 279
ALA A 277
ALA A 318
 None
 1.11A 3keeD-5enyA:
undetectable		 3keeD-5enyA:
13.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		10 GLN A1041
HIS A1057
GLY A1058
ASP A1081
GLY A1137
PHE A1154
ARG A1155
ALA A1156
ALA A1157
ASP A1168
 5RS  A1203 (-2.9A)
5RS  A1203 (-2.5A)
5RS  A1203 ( 2.9A)
5RS  A1203 (-3.5A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.3A)
5RS  A1203 (-4.8A)
5RS  A1203 (-2.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 4.0A)
 0.37A 3keeD-5eqqA:
31.1		 3keeD-5eqqA:
80.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
LYS A 192
GLY A 193
SER A 195
 None
 0.71A 3keeD-5f8zA:
11.0		 3keeD-5f8zA:
27.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 485
GLY A 423
ALA A 491
ALA A 494
ASP A 492
 MAN  A1506 (-3.3A)
None
None
None
EDO  A1864 ( 4.8A)
 1.10A 3keeD-5fjiA:
undetectable		 3keeD-5fjiA:
11.61
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 GLY A  46
ARG A  52
ALA A 494
ALA A 493
ASP A 495
 None
 1.10A 3keeD-5glgA:
undetectable		 3keeD-5glgA:
16.31
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.
5gvt PLASMA KALLIKREIN

(Mus musculus) 		no annotation 5 HIS A  57
ASP A 102
LYS A 192
GLY A 193
SER A 195
 None
 0.97A 3keeD-5gvtA:
11.2		 3keeD-5gvtA:
17.65
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 117
GLY A 327
SER A 325
PHE A 324
ALA A 227
 None
 0.96A 3keeD-5kp7A:
undetectable		 3keeD-5kp7A:
16.74
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 HIS A 317
ASP A 287
GLY A 117
SER A 190
ALA A 320
 None
 1.11A 3keeD-5mifA:
undetectable		 3keeD-5mifA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 HIS A 331
ASP A 304
GLY A 150
SER A 217
ALA A 239
 None
 1.04A 3keeD-5no5A:
undetectable		 3keeD-5no5A:
21.12
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.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		5 HIS B  58
ASP B 114
GLY B 218
SER B 220
ALA B 242
 0G6  B 501 (-2.5A)
None
0G6  B 501 (-3.9A)
0G6  B 501 (-1.3A)
0G6  B 501 (-3.4A)
 0.75A 3keeD-5to3B:
10.9		 3keeD-5to3B:
18.87
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 GLY 2 521
SER 2 645
ARG 2 643
ALA 2 599
ASP 2 600
 None
 1.01A 3keeD-5udb2:
undetectable		 3keeD-5udb2:
11.29
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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		6 GLN A 382
HIS A 226
ASP A 186
GLY A 384
SER A 386
ALA A 290
 None
 1.14A 3keeD-5vlhA:
undetectable		 3keeD-5vlhA:
17.75
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 8 GLN A  41
HIS A  57
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.66A 3keeD-5wdxA:
25.3		 3keeD-5wdxA:
23.27
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 9 HIS A  57
GLY A  58
ASP A  81
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.34A 3keeD-5wdxA:
25.3		 3keeD-5wdxA:
23.27
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 6 LYS A 136
GLY A 137
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.95A 3keeD-5wdxA:
25.3		 3keeD-5wdxA:
23.27
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.
6gk7 HUMAN FAB ANTIBODY
FRAGMENT OF
CBTAU-27.1(S31Y,T100
I)

(Homo sapiens) 		no annotation 5 GLY H  54
SER H  30
ARG H 102
ALA H 101
ASP H 100
 None
 1.03A 3keeD-6gk7H:
undetectable		 3keeD-6gk7H:
16.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 PHE A  43
TYR A  56
VAL A 132
LEU A 135
 None
 0.43A 3keeD-1cu1A:
32.3		 3keeD-1cu1A:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 PHE A  43
TYR A  56
VAL A 132
LEU A 135
 None
 0.59A 3keeD-1ns3A:
32.6		 3keeD-1ns3A:
96.26
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.
1sva SIMIAN VIRUS 40

(Macaca mulatta
polyomavirus 1) 		PF00718
(Polyoma_coat) 		4 PHE 1 149
TYR 1 220
VAL 1 122
LEU 1 282
 None
 1.23A 3keeD-1sva1:
0.0		 3keeD-1sva1:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqj RIBULOSE-PHOSPHATE
3-EPIMERASE

(Synechocystis
sp.) 		PF00834
(Ribul_P_3_epim) 		4 PHE A 127
TYR A 130
VAL A 178
LEU A 139
 None
 1.33A 3keeD-1tqjA:
0.0		 3keeD-1tqjA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 PHE A1007
TYR A1108
VAL A 969
LEU A 968
 None
 1.27A 3keeD-1ux6A:
0.0		 3keeD-1ux6A:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 PHE A 192
TYR A 169
VAL A 220
LEU A 223
 None
 1.38A 3keeD-2pkgA:
0.0		 3keeD-2pkgA:
16.76
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		4 PHE A 664
TYR A 591
VAL A 557
LEU A 623
 None
 1.44A 3keeD-2pqfA:
0.0		 3keeD-2pqfA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 PHE A1279
TYR A1295
VAL A1216
LEU A1246
 None
 1.35A 3keeD-2vdcA:
0.0		 3keeD-2vdcA:
8.36
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.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 PHE A 355
TYR A 242
VAL A 299
LEU A 377
 None
 1.20A 3keeD-2x0qA:
0.2		 3keeD-2x0qA:
14.03
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.
3a57 THERMOSTABLE DIRECT
HEMOLYSIN 2

(Vibrio
parahaemolyticus) 		PF03347
(TDH) 		4 PHE A  38
TYR A  49
VAL A 137
LEU A 148
 None
 1.48A 3keeD-3a57A:
undetectable		 3keeD-3a57A:
20.81
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.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		4 PHE A 296
TYR A  35
VAL A 339
LEU A 328
 FMT  A2062 (-4.3A)
None
None
None
 1.46A 3keeD-3c7oA:
undetectable		 3keeD-3c7oA:
17.42
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.
3cob KINESIN HEAVY
CHAIN-LIKE PROTEIN

(Solanum
tuberosum) 		PF00225
(Kinesin) 		4 PHE A 967
TYR A1203
VAL A1017
LEU A1091
 None
 1.38A 3keeD-3cobA:
undetectable		 3keeD-3cobA:
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 PHE A 387
TYR A 453
VAL A 417
LEU A 393
 None
 1.43A 3keeD-3iv0A:
undetectable		 3keeD-3iv0A:
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.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 PHE A  89
TYR A  59
VAL A  10
LEU A  23
 None
 1.49A 3keeD-3mwsA:
undetectable		 3keeD-3mwsA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o52 GDP-MANNOSE
PYROPHOSPHATASE NUDK

(Escherichia
coli) 		PF00293
(NUDIX) 		4 PHE A 160
TYR A 183
VAL A 155
LEU A 156
 None
NA  A7113 (-3.9A)
None
None
 1.02A 3keeD-3o52A:
undetectable		 3keeD-3o52A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		4 PHE A  87
TYR A 180
VAL A 154
LEU A 155
 None
 1.29A 3keeD-3pbkA:
undetectable		 3keeD-3pbkA:
16.78
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		4 PHE A 394
TYR A 328
VAL A 256
LEU A 219
 None
 1.32A 3keeD-3qokA:
undetectable		 3keeD-3qokA:
17.27
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.
3qyj ALR0039 PROTEIN

(Nostoc sp. PCC
7120) 		PF00561
(Abhydrolase_1) 		4 PHE A 271
TYR A  34
VAL A 236
LEU A 237
 None
 1.32A 3keeD-3qyjA:
undetectable		 3keeD-3qyjA:
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.
3shd PHOSPHATASE NUDJ

(Escherichia
coli) 		PF00293
(NUDIX) 		4 PHE A  84
TYR A 136
VAL A  20
LEU A  19
 None
 1.17A 3keeD-3shdA:
undetectable		 3keeD-3shdA:
20.10
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 PHE A  50
TYR A 245
VAL A 218
LEU A 215
 None
 1.48A 3keeD-4e1eA:
undetectable		 3keeD-4e1eA:
20.71
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.
4i9c RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE F

(Bacillus
subtilis) 		PF12895
(ANAPC3)
PF13424
(TPR_12) 		4 PHE A 123
TYR A 110
VAL A 134
LEU A 131
 None
 1.24A 3keeD-4i9cA:
undetectable		 3keeD-4i9cA:
16.10
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		4 PHE A 146
TYR A 240
VAL A 169
LEU A 170
 None
 1.22A 3keeD-4j9tA:
undetectable		 3keeD-4j9tA:
18.68
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.
4plj CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		4 PHE A 547
TYR A 480
VAL A 538
LEU A 539
 None
 1.44A 3keeD-4pljA:
undetectable		 3keeD-4pljA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		4 PHE A 394
TYR A 328
VAL A 256
LEU A 219
 None
 1.37A 3keeD-4q22A:
undetectable		 3keeD-4q22A:
17.44
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.
4u60 STRUCTURAL PROTEIN
VP1

(Human
polyomavirus 8) 		PF00718
(Polyoma_coat) 		4 PHE A 153
TYR A 226
VAL A 125
LEU A 288
 None
 1.27A 3keeD-4u60A:
undetectable		 3keeD-4u60A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y2o CFA/I FIMBRIAL
SUBUNIT A
(COLONIZATION FACTOR
ANTIGEN SUBUNIT A
PUTATIVE CHAPERONE)
CFA/I FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1)
no annotation 		4 PHE A  93
TYR A  22
VAL A 116
LEU B 128
 None
 1.47A 3keeD-4y2oA:
undetectable		 3keeD-4y2oA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 PHE A 257
TYR A 470
VAL A 662
LEU A 665
 None
 1.13A 3keeD-5bqnA:
undetectable		 3keeD-5bqnA:
11.29
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.
5d4w PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 PHE A 700
TYR A 398
VAL A 744
LEU A 703
 None
 1.32A 3keeD-5d4wA:
undetectable		 3keeD-5d4wA:
12.32
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.
5drz HIV ANTIBODY F240
LIGHT CHAIN

(Homo sapiens) 		no annotation 4 PHE L  71
TYR L  92
VAL L  55
LEU L  47
 None
 1.17A 3keeD-5drzL:
undetectable		 3keeD-5drzL:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00551
(Formyl_trans_N) 		4 PHE A 205
TYR A 375
VAL A 348
LEU A 345
 None
 1.44A 3keeD-5es6A:
undetectable		 3keeD-5es6A:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C) 		4 PHE A 205
TYR A 375
VAL A 348
LEU A 345
 None
 1.40A 3keeD-5es9A:
undetectable		 3keeD-5es9A:
14.25
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.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 PHE A 578
TYR A 660
VAL A 618
LEU A 626
 None
 1.36A 3keeD-5gxuA:
undetectable		 3keeD-5gxuA:
13.75
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		4 PHE A 267
TYR A 280
VAL A  86
LEU A  77
 None
 1.46A 3keeD-5m8eA:
undetectable		 3keeD-5m8eA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mv9 UNCONVENTIONAL
MYOSIN-VIIA

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4) 		4 PHE A2085
TYR A2052
VAL A2034
LEU A2037
 None
 1.44A 3keeD-5mv9A:
undetectable		 3keeD-5mv9A:
16.32
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.
5ola TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 PHE A 350
TYR A 229
VAL A 300
LEU A 345
 None
 1.33A 3keeD-5olaA:
undetectable		 3keeD-5olaA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 PHE A 546
TYR A 385
VAL A 587
LEU A 551
 None
 1.11A 3keeD-6etzA:
undetectable		 3keeD-6etzA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f1j -

(-) 		no annotation 4 PHE A 107
TYR A 119
VAL A 282
LEU A 281
 None
 1.47A 3keeD-6f1jA:
undetectable		 3keeD-6f1jA:
undetectable