SIMILAR PATTERNS OF AMINO ACIDS FOR 6C2M_C_SUEC1203_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
GLY A 193
SER A 195
VAL A 217
 0GJ  A 245 (-2.7A)
None
0GJ  A 245 (-3.7A)
0GJ  A 245 (-1.4A)
0GJ  A 245 ( 4.9A)
 0.90A 6c2mC-1a5iA:
4.4		 6c2mC-1a5iA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 6c2mC-1a8qA:
undetectable		 6c2mC-1a8qA:
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.
1aok VIPOXIN COMPLEX

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		5 ARG B 100
PHE B   5
ALA B 103
ALA B 102
VAL B 101
 None
ACT  B 134 (-4.6A)
None
ACT  B 134 ( 4.7A)
None
 1.04A 6c2mC-1aokB:
undetectable		 6c2mC-1aokB:
19.69
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
VAL A  78
ASP A  81
ARG A 123
GLY A 137
PHE A 154
ALA A 156
ALA A 157
VAL A 158
 None
 0.57A 6c2mC-1cu1A:
34.7		 6c2mC-1cu1A:
47.97
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
VAL A  78
ASP A  81
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
VAL A 158
 None
 0.62A 6c2mC-1cu1A:
34.7		 6c2mC-1cu1A:
47.97
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.
1dle COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
GLY A 193
SER A 195
VAL A 217
 None
 0.82A 6c2mC-1dleA:
4.1		 6c2mC-1dleA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ep5 CAPSID PROTEIN C

(Venezuelan
equine
encephalitis
virus) 		no annotation 5 HIS B 152
ASP B 174
GLY B 224
SER B 226
VAL B 245
 None
 0.70A 6c2mC-1ep5B:
11.0		 6c2mC-1ep5B:
19.44
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.
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
 1.03A 6c2mC-1evqA:
undetectable		 6c2mC-1evqA:
13.67
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.
1exf EXFOLIATVE TOXIN A

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 HIS A  57
ASP A 102
ARG A 182
GLY A 193
SER A 195
 None
 0.82A 6c2mC-1exfA:
10.5		 6c2mC-1exfA:
16.60
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.
1fiw BETA-ACROSIN HEAVY
CHAIN

(Ovis aries) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
GLY A 193
SER A 195
VAL A 217
 None
None
None
PBZ  A 305 (-2.9A)
None
 0.95A 6c2mC-1fiwA:
9.7		 6c2mC-1fiwA:
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.
1fiz BETA-ACROSIN HEAVY
CHAIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
GLY A 193
SER A 195
VAL A 217
 None
None
None
PBZ  A 308 (-3.2A)
None
 0.88A 6c2mC-1fizA:
9.5		 6c2mC-1fizA:
16.47
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 HIS A 338
ASP A 308
ARG A 331
GLY A 126
SER A 202
 None
 0.83A 6c2mC-1jkmA:
undetectable		 6c2mC-1jkmA:
11.33
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.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		5 GLN H  61
HIS H  57
ASP H 102
GLY H 193
SER H 195
 None
 0.87A 6c2mC-1kigH:
9.5		 6c2mC-1kigH:
20.57
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.
1ks6 TRANSFORMING GROWTH
FACTOR BETA TYPE II
RECEPTOR

(Gallus gallus) 		PF08917
(ecTbetaR2) 		5 ASP A  58
GLY A  95
ALA A  40
ALA A  41
VAL A  42
 None
 1.02A 6c2mC-1ks6A:
undetectable		 6c2mC-1ks6A:
14.95
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.
1m9u EARTHWORM
FIBRINOLYTIC ENZYME

(Eisenia fetida) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
GLY A 193
SER A 195
VAL A 217
 None
 0.87A 6c2mC-1m9uA:
10.8		 6c2mC-1m9uA:
15.72
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
VAL A  78
ASP A  81
ARG A 123
GLY A 137
ALA A 157
VAL A 158
 None
 0.87A 6c2mC-1ns3A:
30.6		 6c2mC-1ns3A:
39.37
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
VAL A  78
ASP A  81
GLY A 137
SER A 139
 None
 1.01A 6c2mC-1ns3A:
30.6		 6c2mC-1ns3A:
39.37
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 HIS A  57
VAL A  78
ASP A  81
ARG A 123
GLY A 137
PHE A 154
ALA A 156
ALA A 157
VAL A 158
 None
 0.66A 6c2mC-1ns3A:
30.6		 6c2mC-1ns3A:
39.37
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.
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
 0.70A 6c2mC-1p3cA:
10.5		 6c2mC-1p3cA:
17.21
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 HIS A 501
ASP A 551
GLY A 672
SER A 674
VAL A 696
 GBS  A 750 (-4.1A)
None
None
GBS  A 750 (-1.3A)
None
 0.87A 6c2mC-1rtkA:
2.6		 6c2mC-1rtkA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 219
GLY A 112
ALA A 314
ALA A 315
VAL A 316
 None
CSO  A 110 ( 4.2A)
None
None
None
 0.93A 6c2mC-1ub7A:
undetectable		 6c2mC-1ub7A:
12.50
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.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		5 GLN A  40
VAL A  25
ALA A 135
ALA A 148
VAL A 147
 None
 1.05A 6c2mC-1vaxA:
undetectable		 6c2mC-1vaxA:
16.49
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.
1vip PHOSPHOLIPASE A2

(Daboia russelii) 		PF00068
(Phospholip_A2_1) 		5 ARG A 100
PHE A   5
ALA A 103
ALA A 102
VAL A 101
 None
 1.07A 6c2mC-1vipA:
undetectable		 6c2mC-1vipA:
18.49
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.
1wcz GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 HIS A  51
ASP A  93
GLY A 167
SER A 169
VAL A 188
 None
 0.87A 6c2mC-1wczA:
11.8		 6c2mC-1wczA:
18.23
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.
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
 0.79A 6c2mC-1y8tA:
12.6		 6c2mC-1y8tA:
14.10
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 VAL A 352
ASP A 351
GLY A 116
ALA A 109
ALA A 108
 None
 1.00A 6c2mC-2c11A:
undetectable		 6c2mC-2c11A:
8.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		6 GLN B  92
VAL B 205
ASP B 220
GLY B  57
ALA B  47
VAL B 103
 None
None
K  B 396 ( 3.6A)
None
None
None
 1.30A 6c2mC-2fpgB:
undetectable		 6c2mC-2fpgB:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.95A 6c2mC-2pncA:
undetectable		 6c2mC-2pncA:
8.42
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.
2pro ALPHA-LYTIC PROTEASE

(Lysobacter
enzymogenes) 		PF02983
(Pro_Al_protease) 		6 VAL A 128
ARG A  82
GLY A  45
ALA A  66
ALA A  65
VAL A  64
 None
 1.38A 6c2mC-2proA:
undetectable		 6c2mC-2proA:
17.86
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.
2qog PHOSPHOLIPASE A2 CB2

(Crotalus
durissus) 		PF00068
(Phospholip_A2_1) 		5 ARG A 100
PHE A   5
ALA A 103
ALA A 102
VAL A 101
 None
 1.05A 6c2mC-2qogA:
undetectable		 6c2mC-2qogA:
14.84
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.
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
 0.71A 6c2mC-2vidA:
12.1		 6c2mC-2vidA:
18.04
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.
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
 0.86A 6c2mC-2whxA:
11.2		 6c2mC-2whxA:
7.71
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.
2wv0 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR YVOA

(Bacillus
subtilis) 		PF00392
(GntR)
PF07702
(UTRA) 		5 GLN A 163
GLY A 101
ALA A 143
VAL A 227
SER A 226
 None
 0.92A 6c2mC-2wv0A:
undetectable		 6c2mC-2wv0A:
16.09
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 HIS F 501
ASP F 551
GLY F 672
SER F 674
VAL F 696
 None
 0.72A 6c2mC-2xwbF:
4.3		 6c2mC-2xwbF:
7.37
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 GLY A 237
SER A 271
ALA A 261
ALA A 260
VAL A 259
 None
 1.06A 6c2mC-2z2zA:
undetectable		 6c2mC-2z2zA:
11.43
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLY A 529
ALA A 523
ALA A 522
VAL A 519
SER A 518
 None
 1.06A 6c2mC-3actA:
undetectable		 6c2mC-3actA:
7.07
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.
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
 0.71A 6c2mC-3ak5A:
6.8		 6c2mC-3ak5A:
6.74
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.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		5 VAL A  92
ALA A 136
ALA A 135
VAL A 132
SER A 131
 None
 1.03A 6c2mC-3aw9A:
undetectable		 6c2mC-3aw9A:
13.03
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.
3cp7 ALKALINE SERINE
PROTEASE AL20

(Nesterenkonia
aethiopica) 		PF13365
(Trypsin_2) 		5 HIS A  41
ASP A  91
GLY A 167
SER A 169
VAL A 197
 FMT  A 219 (-3.9A)
None
FMT  A 219 (-3.6A)
FMT  A 219 (-2.6A)
None
 1.05A 6c2mC-3cp7A:
6.1		 6c2mC-3cp7A:
19.09
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.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A  40
SER A  43
ALA A  49
VAL A  50
SER A  51
 None
 0.97A 6c2mC-3enqA:
undetectable		 6c2mC-3enqA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 6c2mC-3g7nA:
undetectable		 6c2mC-3g7nA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		6 GLN A 382
HIS A 226
ASP A 186
GLY A 384
SER A 386
ALA A 290
 None
 1.20A 6c2mC-3gcwA:
undetectable		 6c2mC-3gcwA:
10.94
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
 0.99A 6c2mC-3heaA:
undetectable		 6c2mC-3heaA:
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A 218
GLY A 170
ALA A 175
ALA A 242
VAL A 243
 None
 1.06A 6c2mC-3jv7A:
undetectable		 6c2mC-3jv7A:
14.43
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.
3lkw FUSION PROTEIN OF
NONSTRUCTURAL
PROTEIN 2B AND
NONSTRUCTURAL
PROTEIN 3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		5 HIS A 101
VAL A 122
ASP A 125
GLY A 183
VAL A 212
 GOL  A 303 (-3.7A)
None
GOL  A 303 ( 4.7A)
None
None
 0.77A 6c2mC-3lkwA:
5.9		 6c2mC-3lkwA:
18.53
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.
3p5n RIBOFLAVIN UPTAKE
PROTEIN

(Staphylococcus
aureus) 		PF12822
(ECF_trnsprt) 		5 VAL A  49
ASP A  48
GLY A  84
ALA A  91
SER A 128
 None
None
RBF  A 190 (-3.1A)
RBF  A 190 (-3.4A)
None
 1.01A 6c2mC-3p5nA:
undetectable		 6c2mC-3p5nA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p5n RIBOFLAVIN UPTAKE
PROTEIN

(Staphylococcus
aureus) 		PF12822
(ECF_trnsprt) 		5 VAL A  49
ASP A  48
GLY A  84
ALA A  91
VAL A 126
 None
None
RBF  A 190 (-3.1A)
RBF  A 190 (-3.4A)
None
 0.97A 6c2mC-3p5nA:
undetectable		 6c2mC-3p5nA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.74A 6c2mC-3qo6A:
12.9		 6c2mC-3qo6A:
11.49
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.
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
 0.62A 6c2mC-3stjA:
13.2		 6c2mC-3stjA:
14.33
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.
3u1j SERINE PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7) 		6 HIS B  51
VAL B  72
ASP B  75
GLY B 133
SER B 135
VAL B 155
 None
 1.35A 6c2mC-3u1jB:
12.6		 6c2mC-3u1jB:
19.66
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.
3u1j SERINE PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7) 		6 HIS B  51
VAL B  72
ASP B  75
GLY B 133
SER B 135
VAL B 162
 None
 0.91A 6c2mC-3u1jB:
12.6		 6c2mC-3u1jB:
19.66
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.
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)
 0.80A 6c2mC-3ufaA:
11.7		 6c2mC-3ufaA:
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.
3voo FATTY ACID
ALPHA-HYDROXYLASE

(Sphingomonas
paucimobilis) 		PF00067
(p450) 		5 ARG A 186
GLY A 199
ALA A 193
ALA A 233
VAL A 234
 None
 1.01A 6c2mC-3vooA:
undetectable		 6c2mC-3vooA:
11.52
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.
3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 GLN A  60
GLY A  81
ALA A  28
ALA A  27
VAL A  26
 None
 0.92A 6c2mC-3w15A:
undetectable		 6c2mC-3w15A:
11.92
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		5 HIS A 836
ASP A 887
GLY A 977
SER A 979
VAL A1001
 None
 0.88A 6c2mC-3w94A:
10.5		 6c2mC-3w94A:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wau 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Bacteroides
fragilis) 		PF04041
(Glyco_hydro_130) 		5 ASP A 131
GLY A  91
SER A  96
ALA A  99
VAL A 100
 M1P  A 404 (-2.9A)
None
None
None
None
 0.87A 6c2mC-3wauA:
undetectable		 6c2mC-3wauA:
12.36
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 HIS A 281
ASP A 251
GLY A  84
SER A 156
ALA A 284
 None
 1.08A 6c2mC-3wj2A:
undetectable		 6c2mC-3wj2A:
10.44
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 ASP A 162
ARG A 322
ALA A 321
ALA A 168
SER A 169
 None
 1.02A 6c2mC-3zpcA:
undetectable		 6c2mC-3zpcA:
13.70
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 GLY A  39
PHE A 267
ALA A 406
ALA A 405
VAL A 404
 None
None
None
None
GOL  A1419 (-3.5A)
 0.88A 6c2mC-4c9mA:
undetectable		 6c2mC-4c9mA:
10.65
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.
4dwd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 240
PHE A 222
ALA A 207
VAL A 204
SER A 203
 None
 1.07A 6c2mC-4dwdA:
undetectable		 6c2mC-4dwdA:
11.73
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.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 GLY A  37
PHE A 265
ALA A 404
ALA A 403
VAL A 402
 None
 0.96A 6c2mC-4dxyA:
undetectable		 6c2mC-4dxyA:
11.22
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.
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
 0.60A 6c2mC-4flnA:
5.8		 6c2mC-4flnA:
9.06
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 HIS A 549
VAL A 501
GLY A 575
SER A 578
ALA A 397
 None
 1.06A 6c2mC-4iigA:
undetectable		 6c2mC-4iigA:
7.42
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.
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
 0.72A 6c2mC-4inlA:
12.2		 6c2mC-4inlA:
17.84
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.
4jcn GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
epidermidis) 		PF13365
(Trypsin_2) 		5 HIS A 117
ASP A 159
GLY A 233
SER A 235
VAL A 254
 None
 0.89A 6c2mC-4jcnA:
7.9		 6c2mC-4jcnA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.05A 6c2mC-4kpgA:
undetectable		 6c2mC-4kpgA:
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.
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
 0.97A 6c2mC-4m1zA:
undetectable		 6c2mC-4m1zA:
14.45
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 GLN A 125
VAL A 116
GLY A 128
ALA A  77
ALA A  80
 None
 1.00A 6c2mC-4mllA:
undetectable		 6c2mC-4mllA:
15.51
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.
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
 0.70A 6c2mC-4mzdA:
undetectable		 6c2mC-4mzdA:
10.52
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) 		7 GLN A  41
ARG A 123
GLY A 137
SER A 139
PHE A 154
ALA A 157
VAL A 158
 2R8  A 301 ( 3.5A)
None
GOL  A 305 ( 3.2A)
2R8  A 301 (-2.6A)
2R8  A 301 (-3.7A)
2R8  A 301 (-3.8A)
2R8  A 301 ( 4.4A)
 0.90A 6c2mC-4nwkA:
35.5		 6c2mC-4nwkA:
95.00
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) 		10 GLN A  41
HIS A  57
VAL A  78
ASP A  81
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
VAL A 158
 2R8  A 301 ( 3.5A)
2R8  A 301 (-3.3A)
None
2R8  A 301 (-3.6A)
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)
2R8  A 301 ( 4.4A)
 0.46A 6c2mC-4nwkA:
35.5		 6c2mC-4nwkA:
95.00
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		6 GLN B 382
HIS B 226
ASP B 186
GLY B 384
SER B 386
ALA B 290
 None
 1.21A 6c2mC-4ov6B:
undetectable		 6c2mC-4ov6B:
14.77
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.
4w78 HYDRATASE CHSH1
HYDRATASE CHSH2

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF13452
(MaoC_dehydrat_N)
no annotation 		5 ARG A  55
GLY B  68
SER B  70
ALA A  56
ALA A  53
 None
 1.00A 6c2mC-4w78A:
undetectable		 6c2mC-4w78A:
19.30
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.
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
 0.67A 6c2mC-4x2xA:
10.4		 6c2mC-4x2xA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x90 GROUP XV
PHOSPHOLIPASE A2

(Homo sapiens) 		PF02450
(LCAT) 		6 HIS A 359
VAL A 303
ASP A 327
GLY A  12
SER A 165
VAL A 191
 None
None
None
None
MPD  A 409 (-3.5A)
None
 1.43A 6c2mC-4x90A:
undetectable		 6c2mC-4x90A:
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.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 GLN A 262
ALA A 230
ALA A 231
VAL A 232
SER A  34
 None
 1.07A 6c2mC-4y5fA:
undetectable		 6c2mC-4y5fA:
13.03
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.
5b5h ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 GLY A 127
SER A 129
ALA A 154
ALA A 183
SER A 201
 None
NA  A1003 (-4.2A)
None
None
None
 0.97A 6c2mC-5b5hA:
undetectable		 6c2mC-5b5hA:
18.18
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.
5cxu FERULIC ACID
ESTERASE AMCE1/FAE1A

(Anaeromyces
mucronatus) 		PF00756
(Esterase) 		5 HIS A 253
ASP A 222
GLY A  64
SER A 156
SER A  77
 None
 0.95A 6c2mC-5cxuA:
undetectable		 6c2mC-5cxuA:
13.72
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
VAL A1078
ASP A1081
ARG A1123
GLY A1137
PHE A1154
ALA A1156
ALA A1157
VAL A1158
 5RS  A1203 (-2.9A)
5RS  A1203 (-2.5A)
5RS  A1203 (-3.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 3.3A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.3A)
5RS  A1203 (-2.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 3.6A)
 0.33A 6c2mC-5eqqA:
35.5		 6c2mC-5eqqA:
98.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		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
 1.00A 6c2mC-5fjjA:
undetectable		 6c2mC-5fjjA:
7.23
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.
5gj4 SERINE PROTEASE NS3

(Zika virus) 		PF00949
(Peptidase_S7) 		6 HIS B  51
VAL B  72
ASP B  75
GLY B 133
SER B 135
VAL B 162
 None
 1.02A 6c2mC-5gj4B:
6.6		 6c2mC-5gj4B:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h7k ELONGATION FACTOR 2

(Pyrococcus
horikoshii) 		no annotation 5 ASP A  97
ARG A 349
GLY A 372
ALA A 312
VAL A 311
 None
 0.99A 6c2mC-5h7kA:
undetectable		 6c2mC-5h7kA:
18.18
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		6 HIS A 317
ASP A 287
ARG A 310
GLY A 107
SER A 188
SER A 330
 TRS  A 402 (-4.3A)
None
None
TRS  A 402 ( 3.8A)
TRS  A 402 (-2.3A)
None
 1.26A 6c2mC-5hc4A:
undetectable		 6c2mC-5hc4A:
11.36
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 HIS A 317
ASP A 287
ARG A 310
GLY A 108
SER A 188
 TRS  A 402 (-4.3A)
None
None
TRS  A 402 (-3.3A)
TRS  A 402 (-2.3A)
 1.05A 6c2mC-5hc4A:
undetectable		 6c2mC-5hc4A:
11.36
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.
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
 0.76A 6c2mC-5ilbA:
13.0		 6c2mC-5ilbA:
10.15
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.
5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Flavobacterium
psychrophilum) 		PF10459
(Peptidase_S46) 		5 HIS A  83
ASP A 219
GLY A 642
SER A 644
VAL A 663
 ARG  A 801 (-3.6A)
None
ASP  A 802 (-3.8A)
ASP  A 802 (-2.5A)
None
 0.89A 6c2mC-5jxfA:
6.1		 6c2mC-5jxfA:
7.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 6c2mC-5mifA:
undetectable		 6c2mC-5mifA:
13.20
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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 5 HIS A  36
VAL A  58
ASP A  63
GLY A 142
SER A 144
 None
 1.07A 6c2mC-5mrrA:
11.6		 6c2mC-5mrrA:
25.00
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 HIS A 545
VAL A 497
GLY A 571
SER A 574
ALA A 393
 None
 1.03A 6c2mC-5nbsA:
undetectable		 6c2mC-5nbsA:
22.47
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.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 HIS A 331
ASP A 304
GLY A 150
SER A 217
ALA A 239
 None
 1.01A 6c2mC-5no5A:
undetectable		 6c2mC-5no5A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.72A 6c2mC-5to3B:
9.7		 6c2mC-5to3B:
11.65
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.
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 6c2mC-5vlhA:
undetectable		 6c2mC-5vlhA:
11.01
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 ASP A  51
SER A 372
ALA A 151
ALA A 152
VAL A 153
 None
 1.06A 6c2mC-5w8oA:
undetectable		 6c2mC-5w8oA:
11.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 9 GLN A  41
HIS A  57
ARG A 123
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
VAL A 158
 None
 0.65A 6c2mC-5wdxA:
27.4		 6c2mC-5wdxA:
37.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 9 HIS A  57
ASP A  81
ARG A 123
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
VAL A 158
 None
 0.40A 6c2mC-5wdxA:
27.4		 6c2mC-5wdxA:
37.01
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 GLN A  54
GLY A  49
SER A 249
ALA A 218
VAL A 217
 None
 1.02A 6c2mC-5yfbA:
undetectable		 6c2mC-5yfbA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ylv POTASSIUM-TRANSPORTI
NG ATPASE SUBUNIT
BETA

(Sus scrofa) 		no annotation 5 VAL B 259
GLY B 171
ALA B 247
ALA B 246
VAL B 245
 None
 0.81A 6c2mC-5ylvB:
undetectable		 6c2mC-5ylvB:
14.46
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 5 GLN A  58
VAL A 222
GLY A  10
ALA A 125
VAL A 126
 MLI  A 301 ( 4.6A)
None
None
None
None
 1.04A 6c2mC-6apgA:
undetectable		 6c2mC-6apgA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 6 VAL A 114
ASP A 241
ALA A 182
ALA A 183
VAL A 186
SER A 187
 None
 1.38A 6c2mC-6b5fA:
undetectable		 6c2mC-6b5fA:
13.90
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.
6fkx ACETYL XYLAN
ESTERASE

(metagenome) 		no annotation 5 HIS C 304
ASP C 275
ARG C 297
GLY C  92
SER C 185
 None
 0.74A 6c2mC-6fkxC:
undetectable		 6c2mC-6fkxC:
20.43