SIMILAR PATTERNS OF AMINO ACIDS FOR 3SUF_D_SUED1201

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 VAL A 159
GLY A 176
VAL A  43
ILE A 146
ALA A  70
 None
 0.90A 3sufD-1b0kA:
undetectable		 3sufD-1b0kA:
14.92
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.
1bxz NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 179
VAL A 204
ILE A 262
GLY A 158
ALA A 171
 None
 0.89A 3sufD-1bxzA:
undetectable		 3sufD-1bxzA:
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.
1c8b SPORE PROTEASE

(Bacillus
megaterium) 		PF03418
(Peptidase_A25) 		5 VAL A 563
GLY A 565
ILE A 742
ALA A 534
ALA A 746
 None
 0.94A 3sufD-1c8bA:
undetectable		 3sufD-1c8bA:
18.33
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) 		11 VAL A  55
HIS A  57
GLY A  58
VAL A  78
ASP A  81
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
CYH A 159
 None
 0.53A 3sufD-1cu1A:
32.6		 3sufD-1cu1A:
81.07
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 388
ILE A 442
GLY A 327
SER A 439
ALA A 453
 None
 0.96A 3sufD-1gpeA:
undetectable		 3sufD-1gpeA:
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.
1h3m 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF01128
(IspD) 		5 ILE A  56
GLY A  92
SER A  88
ALA A  15
ALA A  14
 None
 1.01A 3sufD-1h3mA:
undetectable		 3sufD-1h3mA:
20.87
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.
1i9a ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Escherichia
coli) 		PF00293
(NUDIX) 		5 HIS A  69
GLY A  68
VAL A 117
ALA A  24
ALA A  23
 MN  A1001 (-3.1A)
None
None
None
None
 0.78A 3sufD-1i9aA:
undetectable		 3sufD-1i9aA:
17.45
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 GLY A 163
VAL A  83
GLY A 261
ALA A 247
ALA A 275
 None
 0.98A 3sufD-1jjiA:
undetectable		 3sufD-1jjiA:
20.75
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 GLY A 195
ILE A  58
GLY A 204
ALA A 146
ALA A 145
 None
 0.97A 3sufD-1kfwA:
undetectable		 3sufD-1kfwA:
16.17
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) 		7 HIS A  57
GLY A  58
GLY A 137
SER A 139
PHE A 154
ALA A 156
CYH A 159
 None
 0.91A 3sufD-1ns3A:
29.1		 3sufD-1ns3A:
78.00
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
VAL A  78
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
 None
 0.82A 3sufD-1ns3A:
29.1		 3sufD-1ns3A:
78.00
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 VAL A  55
HIS A  57
GLY A  58
ASP A  81
GLY A 137
PHE A 154
ALA A 156
CYH A 159
 None
 0.60A 3sufD-1ns3A:
29.1		 3sufD-1ns3A:
78.00
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) 		9 VAL A  55
HIS A  57
GLY A  58
VAL A  78
ASP A  81
GLY A 137
PHE A 154
ALA A 156
ALA A 157
 None
 0.52A 3sufD-1ns3A:
29.1		 3sufD-1ns3A:
78.00
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A 131
ILE A 171
GLY A 158
SER A 147
ALA A 149
 None
 0.94A 3sufD-1p9hA:
undetectable		 3sufD-1p9hA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A 131
VAL A 115
ILE A 173
SER A 147
ALA A 156
ALA A 172
 None
 1.49A 3sufD-1p9hA:
undetectable		 3sufD-1p9hA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		5 GLY A 166
ILE A 111
GLY A 135
ALA A  79
ALA A  85
 None
 1.01A 3sufD-1q0uA:
undetectable		 3sufD-1q0uA:
21.81
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 VAL A 352
GLY A 353
VAL A 333
ILE A 149
ALA A 159
ALA A 158
 None
 1.28A 3sufD-1q1nA:
undetectable		 3sufD-1q1nA:
23.20
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.
1tnu GERANYLGERANYL
TRANSFERASE TYPE I
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 VAL B 340
ILE B 227
GLY B 277
ALA B 343
ALA B 228
 None
 0.90A 3sufD-1tnuB:
undetectable		 3sufD-1tnuB:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 VAL A 273
GLY A 154
ILE A 136
GLY A 279
ALA A  58
 None
 0.98A 3sufD-1tvzA:
undetectable		 3sufD-1tvzA:
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.
1uc4 DIOL DEHYDRASE BETA
SUBUNIT

(Klebsiella
oxytoca) 		PF02288
(Dehydratase_MU) 		6 GLY B 120
VAL B 113
ILE B 100
GLY B 125
ALA B 172
ALA B 173
 None
CNC  B2601 (-4.9A)
None
None
None
None
 1.42A 3sufD-1uc4B:
undetectable		 3sufD-1uc4B:
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		5 GLY A 229
VAL A 154
ASP A 153
SER A 262
ALA A  39
 None
None
None
XYS  A1376 (-3.4A)
None
 1.02A 3sufD-1ur1A:
undetectable		 3sufD-1ur1A:
18.77
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 VAL A 314
ILE A 235
GLY A 240
ALA A 174
ALA A 175
 None
 1.01A 3sufD-1vtkA:
undetectable		 3sufD-1vtkA:
23.10
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.
1z2i MALATE DEHYDROGENASE

(Agrobacterium
tumefaciens) 		PF02615
(Ldh_2) 		5 VAL A  62
ILE A 120
GLY A 273
ALA A  93
ALA A  90
 None
 1.00A 3sufD-1z2iA:
undetectable		 3sufD-1z2iA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zrt CYTOCHROME B
CYTOCHROME C1

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		5 ASP C 278
ILE D 131
GLY D 126
ALA D 106
ALA D 104
 None
HEC  D 501 ( 4.9A)
None
None
None
 0.97A 3sufD-1zrtC:
undetectable		 3sufD-1zrtC:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 GLY A 346
VAL A 341
ILE A 231
ALA A 237
ALA A 235
 None
 1.02A 3sufD-2d0oA:
undetectable		 3sufD-2d0oA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fp7 GENOME POLYPROTEIN

(West Nile virus) 		PF00949
(Peptidase_S7) 		5 HIS B  51
VAL B  72
ASP B  75
GLY B 133
SER B 135
 None
 0.85A 3sufD-2fp7B:
12.4		 3sufD-2fp7B:
21.36
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 HIS A 420
VAL A  79
ASP A  80
ILE A 357
GLY A  92
 None
 0.93A 3sufD-2ftwA:
undetectable		 3sufD-2ftwA:
18.09
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 HIS A 420
VAL A  79
ILE A 357
GLY A  92
ALA A 273
 None
 0.89A 3sufD-2ftwA:
undetectable		 3sufD-2ftwA:
18.09
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.
2ggv NON-STRUCTURAL
PROTEIN 3

(West Nile virus) 		PF00949
(Peptidase_S7) 		5 VAL B  72
ASP B  75
ILE B 162
ALA B 164
ALA B 125
 None
 1.02A 3sufD-2ggvB:
12.1		 3sufD-2ggvB:
22.49
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.
2j4r EXOPOLYPHOSPHATASE

(Aquifex
aeolicus) 		PF02541
(Ppx-GppA) 		5 HIS A 232
GLY A 233
GLY A 208
ALA A 126
ALA A 123
 None
 1.02A 3sufD-2j4rA:
undetectable		 3sufD-2j4rA:
21.15
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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 GLY A  40
VAL A 275
ASP A 272
ILE A 151
GLY A  57
 None
 0.97A 3sufD-2nn6A:
undetectable		 3sufD-2nn6A:
23.24
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 VAL A 351
ASP A 350
GLY A 115
ALA A 108
ALA A 107
 None
 1.00A 3sufD-2pncA:
undetectable		 3sufD-2pncA:
13.05
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.
2qjp CYTOCHROME B
CYTOCHROME C1

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		5 ASP A 278
ILE B 131
GLY B 109
ALA B 106
ALA B 104
 None
HEM  B 301 ( 4.3A)
None
None
None
 0.85A 3sufD-2qjpA:
undetectable		 3sufD-2qjpA:
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.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 GLY A  81
ASP A  84
ILE A  49
ALA A  29
ALA A  25
 None
 0.99A 3sufD-2uvdA:
undetectable		 3sufD-2uvdA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 VAL A 249
HIS A 220
ILE A 353
ALA A 347
ALA A 348
 None
 0.88A 3sufD-2vhlA:
undetectable		 3sufD-2vhlA:
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.
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
 0.93A 3sufD-2vidA:
6.5		 3sufD-2vidA:
22.12
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.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		5 HIS A  51
VAL A  72
ASP A  75
GLY A 133
SER A 135
 None
 0.72A 3sufD-2whxA:
11.6		 3sufD-2whxA:
15.75
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		5 HIS A 243
GLY A 133
VAL A  48
ASP A  47
GLY A 214
 FE  A 556 (-3.4A)
None
None
MN  A 555 (-3.2A)
None
 0.98A 3sufD-2xmoA:
undetectable		 3sufD-2xmoA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A 160
VAL A  80
GLY A 260
ALA A 246
ALA A 274
 None
 0.92A 3sufD-2yh2A:
undetectable		 3sufD-2yh2A:
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.
2zkm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-2

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 VAL X 108
ILE X 763
GLY X 760
SER X 780
ALA X 640
 None
 0.96A 3sufD-2zkmX:
undetectable		 3sufD-2zkmX:
13.73
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.
3a5v ALPHA-GALACTOSIDASE

(Umbelopsis
vinacea) 		PF16499
(Melibiase_2) 		5 GLY A 271
ILE A  83
GLY A  12
ALA A  31
ALA A  32
 None
 1.02A 3sufD-3a5vA:
undetectable		 3sufD-3a5vA:
18.67
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 VAL A 123
HIS A 125
ASP A 153
GLY A 257
ALA A 281
 None
 0.55A 3sufD-3ak5A:
6.8		 3sufD-3ak5A:
13.87
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.
3c3p METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF01596
(Methyltransf_3) 		5 GLY A 164
ASP A 132
ILE A 195
GLY A 199
ALA A 157
 None
 0.93A 3sufD-3c3pA:
undetectable		 3sufD-3c3pA:
22.08
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		6 VAL A 212
ILE A 556
GLY A 551
ALA A 519
ALA A 485
CYH A 467
 None
 1.23A 3sufD-3cdiA:
undetectable		 3sufD-3cdiA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9n PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Corynebacterium
glutamicum) 		PF00106
(adh_short) 		5 VAL A  20
GLY A  16
GLY A  33
ALA A  41
ALA A  40
 None
 1.00A 3sufD-3e9nA:
undetectable		 3sufD-3e9nA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)

(Streptococcus
mutans) 		PF00215
(OMPdecase) 		5 VAL A  44
GLY A  45
ILE A  34
GLY A  37
ALA A  24
 None
 1.00A 3sufD-3exsA:
undetectable		 3sufD-3exsA:
23.87
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) 		6 HIS A 241
VAL A 186
ASP A 188
PHE A 162
ALA A 161
ALA A 136
 SO4  A 259 ( 4.6A)
None
None
None
None
None
 1.17A 3sufD-3g7nA:
undetectable		 3sufD-3g7nA:
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 HIS A 226
ASP A 186
GLY A 384
SER A 386
ALA A 290
 None
 0.82A 3sufD-3gcwA:
undetectable		 3sufD-3gcwA:
18.03
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 533
GLY A 528
ALA A 496
ALA A 462
CYH A 444
 None
 0.98A 3sufD-3gmeA:
undetectable		 3sufD-3gmeA:
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 VAL A  98
GLY A 102
ILE A 198
ALA A 145
ALA A 146
 None
 1.01A 3sufD-3gvcA:
undetectable		 3sufD-3gvcA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  95
GLY A  94
VAL A 155
ILE A 223
SER A  68
 CD  A 501 (-3.4A)
None
None
None
CD  A 501 ( 3.7A)
 0.98A 3sufD-3ip1A:
undetectable		 3sufD-3ip1A:
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 GLY A  48
ILE A 244
GLY A 124
SER A  29
ALA A  33
ALA A  36
 None
 1.29A 3sufD-3kd6A:
undetectable		 3sufD-3kd6A:
23.62
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.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A  77
GLY A 322
ALA A 315
ALA A 316
CYH A  81
 None
 1.01A 3sufD-3mdeA:
undetectable		 3sufD-3mdeA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 GLY A  57
SER A 101
ALA A  99
ALA A  98
CYH A 115
 None
 0.89A 3sufD-3qkaA:
undetectable		 3sufD-3qkaA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qr3 ENDOGLUCANASE EG-II

(Trichoderma
reesei) 		PF00150
(Cellulase) 		5 GLY A  91
VAL A 141
GLY A  45
PHE A  50
ALA A 294
 None
 0.89A 3sufD-3qr3A:
undetectable		 3sufD-3qr3A:
19.88
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 461
ILE A 515
GLY A 547
ALA A 478
ALA A 479
 None
 0.81A 3sufD-3rimA:
undetectable		 3sufD-3rimA:
14.79
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.
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)
 0.93A 3sufD-3s29A:
undetectable		 3sufD-3s29A:
12.14
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.
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
 0.68A 3sufD-3stjA:
13.2		 3sufD-3stjA:
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.
3u1j SERINE PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7) 		5 HIS B  51
VAL B  72
ASP B  75
GLY B 133
SER B 135
 None
 0.83A 3sufD-3u1jB:
12.8		 3sufD-3u1jB:
23.96
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.
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)
 0.78A 3sufD-3ufaA:
11.5		 3sufD-3ufaA:
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.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A 108
ASP A 111
ILE A  76
ALA A  56
ALA A  52
 None
 1.01A 3sufD-3v2gA:
undetectable		 3sufD-3v2gA:
22.65
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		5 GLY A 140
VAL A 161
GLY A  70
ALA A 119
ALA A 120
 CA0  A 602 ( 4.9A)
None
None
None
None
 0.98A 3sufD-3vexA:
undetectable		 3sufD-3vexA:
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.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 VAL A 141
GLY A 143
GLY A 239
SER A 127
ALA A 120
 None
 1.00A 3sufD-3vovA:
undetectable		 3sufD-3vovA:
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		6 VAL A 425
GLY A 424
VAL A 430
ILE A 358
GLY A 271
ALA A 277
 None
 1.28A 3sufD-3wbnA:
undetectable		 3sufD-3wbnA:
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		6 GLY A 241
GLY A 150
SER A 153
PHE A 296
ALA A 300
CYH A 304
 None
 1.47A 3sufD-4a01A:
undetectable		 3sufD-4a01A:
14.20
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.
4fbl LIPS LIPOLYTIC
ENZYME

(unidentified) 		PF12146
(Hydrolase_4) 		5 VAL A 230
HIS A 257
ASP A 227
GLY A  57
SER A 126
 None
SPD  A 301 (-3.2A)
None
SPD  A 301 (-3.5A)
SPD  A 301 ( 2.3A)
 1.01A 3sufD-4fblA:
undetectable		 3sufD-4fblA:
21.21
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.
4fln PROTEASE DO-LIKE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A 159
VAL A 187
ASP A 190
GLY A 266
SER A 268
 None
 0.53A 3sufD-4flnA:
12.0		 3sufD-4flnA:
18.20
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 GLY A 284
ILE A 179
GLY A 184
PHE A 186
ALA A 188
 None
 0.93A 3sufD-4fx5A:
undetectable		 3sufD-4fx5A:
18.71
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.
4h09 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Eubacterium
ventriosum) 		PF13306
(LRR_5) 		5 GLY A 185
ILE A 253
GLY A 247
SER A 245
ALA A 266
 None
 0.96A 3sufD-4h09A:
undetectable		 3sufD-4h09A:
21.31
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.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 HIS A  61
ASP A  26
GLY A 219
SER A 221
ALA A 123
 None
 0.95A 3sufD-4h6wA:
undetectable		 3sufD-4h6wA:
22.40
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.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 VAL A  65
HIS A  61
ASP A  26
GLY A 219
ALA A 123
 None
 0.76A 3sufD-4h6wA:
undetectable		 3sufD-4h6wA:
22.40
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.
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
 0.97A 3sufD-4iigA:
undetectable		 3sufD-4iigA:
13.31
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.
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
 0.67A 3sufD-4inlA:
8.7		 3sufD-4inlA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		5 VAL A 508
GLY A 522
VAL A 525
ALA A 555
ALA A 552
 None
None
None
None
PEG  A 802 ( 3.9A)
 1.02A 3sufD-4ioxA:
undetectable		 3sufD-4ioxA:
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.
4ix3 MSSTT7D PROTEIN

(Micromonas
commoda) 		PF00069
(Pkinase) 		5 ASP A 338
GLY A 359
ALA A 342
ALA A 343
CYH A 345
 MG  A 601 (-2.6A)
None
None
None
None
 0.99A 3sufD-4ix3A:
undetectable		 3sufD-4ix3A:
19.14
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A  48
VAL A 389
ILE A 192
GLY A 301
ALA A 201
ALA A 202
 NAD  A 403 (-3.0A)
None
None
NAD  A 403 ( 3.7A)
None
None
 1.41A 3sufD-4jlwA:
undetectable		 3sufD-4jlwA:
19.75
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.
4k29 ENOYL-COA
HYDRATASE/ISOMERASE

(Xanthobacter
autotrophicus) 		PF00378
(ECH_1) 		6 GLY A  58
ASP A 189
GLY A 108
ALA A 105
ALA A 104
CYH A 121
 None
 1.43A 3sufD-4k29A:
undetectable		 3sufD-4k29A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		5 GLY A  98
ASP A 101
ILE A  67
ALA A  47
ALA A  43
 None
 0.97A 3sufD-4kzpA:
undetectable		 3sufD-4kzpA:
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.
4m88 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Verminephrobacter
eiseniae) 		PF13458
(Peripla_BP_6) 		5 VAL A 101
GLY A 100
GLY A 288
ALA A  18
ALA A  19
 None
 1.01A 3sufD-4m88A:
undetectable		 3sufD-4m88A:
18.31
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		5 VAL A 310
HIS A 306
ASP A 259
GLY A 510
ALA A 364
 None
 0.83A 3sufD-4mzdA:
undetectable		 3sufD-4mzdA:
17.45
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) 		6 HIS A  57
GLY A  58
ILE A 132
GLY A 137
PHE A 154
CYH A 159
 2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
2R8  A 301 (-4.3A)
GOL  A 305 ( 3.2A)
2R8  A 301 (-3.7A)
None
 0.77A 3sufD-4nwkA:
32.3		 3sufD-4nwkA:
99.49
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) 		11 VAL A  55
HIS A  57
GLY A  58
VAL A  78
ASP A  81
ILE A 132
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
 None
2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
None
2R8  A 301 (-3.6A)
2R8  A 301 (-4.3A)
GOL  A 305 ( 3.2A)
2R8  A 301 (-2.6A)
2R8  A 301 (-3.7A)
2R8  A 301 (-3.1A)
2R8  A 301 (-3.8A)
 0.69A 3sufD-4nwkA:
32.3		 3sufD-4nwkA:
99.49
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 VAL A  70
HIS A  72
ASP A 101
GLY A 206
SER A 208
 None
 0.85A 3sufD-4om9A:
4.9		 3sufD-4om9A:
12.51
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 HIS B 226
ASP B 186
GLY B 384
SER B 386
ALA B 290
 None
 0.82A 3sufD-4ov6B:
undetectable		 3sufD-4ov6B:
22.11
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.
4r4z PNGF-II

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 ASP A 354
ILE A 315
GLY A 309
SER A 240
ALA A 244
 None
 0.91A 3sufD-4r4zA:
undetectable		 3sufD-4r4zA:
18.05
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.
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
 0.90A 3sufD-4rbnA:
undetectable		 3sufD-4rbnA:
14.21
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 HIS A 372
ASP A 316
GLY A 547
SER A 549
ALA A 201
 None
 0.99A 3sufD-4tr2A:
undetectable		 3sufD-4tr2A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 HIS A 311
GLY A 309
ILE A 284
GLY A 306
ALA A 282
 None
 0.94A 3sufD-4woeA:
undetectable		 3sufD-4woeA:
16.20
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.
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
 0.65A 3sufD-4x2xA:
10.0		 3sufD-4x2xA:
21.60
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.
4z0m ENOYL-COA HYDRATASE

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 GLY A  57
SER A 101
ALA A  99
ALA A  98
CYH A 115
 None
 0.91A 3sufD-4z0mA:
undetectable		 3sufD-4z0mA:
21.86
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		5 VAL A 323
GLY A 325
ILE A 331
GLY A 328
SER A 321
 None
 1.01A 3sufD-4zzpA:
undetectable		 3sufD-4zzpA:
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.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		5 VAL A 314
GLY A 337
GLY A 334
SER A 330
ALA A 326
 None
 0.97A 3sufD-5ddsA:
undetectable		 3sufD-5ddsA:
18.66
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.
5dzs SHIKIMATE
DEHYDROGENASE
(NADP(+))

(Clostridioides
difficile) 		PF08501
(Shikimate_dh_N) 		6 VAL A 116
GLY A 141
VAL A 120
ILE A  82
ALA A 133
ALA A 132
 None
 1.24A 3sufD-5dzsA:
undetectable		 3sufD-5dzsA:
21.40
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) 		11 VAL A1055
HIS A1057
GLY A1058
VAL A1078
ASP A1081
ILE A1132
GLY A1137
PHE A1154
ALA A1156
ALA A1157
CYH A1159
 None
5RS  A1203 (-2.5A)
5RS  A1203 ( 2.9A)
5RS  A1203 (-3.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 4.1A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.3A)
5RS  A1203 (-2.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 3.5A)
 0.51A 3sufD-5eqqA:
32.7		 3sufD-5eqqA:
94.00
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 HIS A 550
VAL A 502
GLY A 576
SER A 579
ALA A 398
 None
 0.99A 3sufD-5fjiA:
undetectable		 3sufD-5fjiA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gj4 SERINE PROTEASE NS3

(Zika virus) 		PF00949
(Peptidase_S7) 		5 HIS B  51
VAL B  72
ASP B  75
GLY B 133
SER B 135
 None
 0.77A 3sufD-5gj4B:
12.6		 3sufD-5gj4B:
23.30
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.
5gxj FLAVIVIRUS_NS2B,LINK
ER,PEPTIDASE S7

(Zika virus;
synthetic
construct) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		5 HIS A1051
VAL A1072
ASP A1075
GLY A1133
SER A1135
 None
 0.86A 3sufD-5gxjA:
11.1		 3sufD-5gxjA:
23.14
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.
5h9x BETA-1,3-GLUCANASE

(Paenibacillus
barengoltzii) 		PF16483
(Glyco_hydro_64) 		5 HIS A 384
GLY A 390
GLY A 402
ALA A 351
CYH A 350
 None
 0.99A 3sufD-5h9xA:
undetectable		 3sufD-5h9xA:
18.65
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.
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West Nile virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		5 HIS A1051
VAL A1072
ASP A1075
GLY A1133
SER A1135
 6A8  A1201 (-3.3A)
None
6A8  A1201 ( 4.2A)
6A8  A1201 (-3.4A)
6A8  A1201 (-1.5A)
 0.96A 3sufD-5idkA:
11.9		 3sufD-5idkA:
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.
5ilb PROTEASE DO-LIKE 2,
CHLOROPLASTIC,PROTEA
SE DO-LIKE 9

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A 159
VAL A 187
ASP A 190
GLY A 266
SER A 268
 None
 0.83A 3sufD-5ilbA:
13.0		 3sufD-5ilbA:
18.49
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 GLN A  41
PHE A  43
TYR A  56
ARG A 155
 None
 1.29A 3sufD-1ns3A:
29.1		 3sufD-1ns3A:
78.00
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLN A 453
PHE A 418
TYR A  62
ARG A  64
 None
 1.43A 3sufD-1ovmA:
0.0		 3sufD-1ovmA:
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.
2jeo URIDINE-CYTIDINE
KINASE 1

(Homo sapiens) 		PF00485
(PRK) 		4 GLN A  64
PHE A 137
LYS A  36
ARG A 155
 None
 1.12A 3sufD-2jeoA:
0.0		 3sufD-2jeoA:
22.39
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) 		4 GLN A  41
PHE A  43
TYR A  56
ARG A 155
 2R8  A 301 ( 3.5A)
2R8  A 301 (-4.6A)
None
2R8  A 301 (-3.6A)
 0.38A 3sufD-4nwkA:
32.3		 3sufD-4nwkA:
99.49
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.
4p3y THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Acinetobacter
baumannii) 		PF01323
(DSBA) 		4 PHE B 112
TYR B  75
LYS B 121
ARG B  73
 None
 1.43A 3sufD-4p3yB:
0.0		 3sufD-4p3yB:
19.81
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) 		5 GLN A1041
PHE A1043
TYR A1056
LYS A1136
ARG A1155
 5RS  A1203 (-2.9A)
5RS  A1203 (-4.3A)
SO4  A1201 ( 4.5A)
5RS  A1203 (-4.8A)
5RS  A1203 (-4.8A)
 0.46A 3sufD-5eqqA:
32.7		 3sufD-5eqqA:
94.00