SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2fj0'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 GLY A 146
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.74A 1ax9A-2fj0A:
49.2
1ax9A-2fj0A:
29.29
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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 LEU A 203
GLY A 215
ILE A 169
PHE A 245
None
0.77A 1d4sB-2fj0A:
undetectable
1d4sB-2fj0A:
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.
1DF7_A_MTXA501_2
(DIHYDROFOLATE
REDUCTASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 TRP A  38
ARG A  56
THR A  34
None
0.92A 1df7A-2fj0A:
undetectable
1df7A-2fj0A:
15.34
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.66A 1dx6A-2fj0A:
47.5
1dx6A-2fj0A:
29.65
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.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 SER A 184
GLY A 192
PRO A 318
PHE A 182
VAL A 200
None
1.18A 1fduC-2fj0A:
undetectable
1fduC-2fj0A:
22.72
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.
1IEP_B_STIB202_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 7 VAL A 518
VAL A 527
ILE A 350
LEU A 532
None
0.94A 1iepB-2fj0A:
undetectable
1iepB-2fj0A:
18.33
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.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 PHE A 361
PHE A 259
GLY A 253
ALA A 229
SER A 226
GLY A 146
TFC  A 600 (-4.4A)
TFC  A 600 (-4.0A)
None
None
TFC  A 600 (-1.4A)
TFC  A 600 (-3.4A)
1.50A 1igxA-2fj0A:
undetectable
1igxA-2fj0A:
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.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 PHE A 361
PHE A 259
GLY A 253
ALA A 229
SER A 226
GLY A 147
TFC  A 600 (-4.4A)
TFC  A 600 (-4.0A)
None
None
TFC  A 600 (-1.4A)
TFC  A 600 (-3.6A)
1.45A 1igxA-2fj0A:
undetectable
1igxA-2fj0A:
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.
1L5R_A_RBFA859_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 LEU A  98
HIS A 471
ALA A 229
GLY A 224
PHE A 458
None
TFC  A 600 (-4.2A)
None
None
None
1.20A 1l5rA-2fj0A:
5.4
1l5rA-2fj0A:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_A_THAA1_1
(LIVER
CARBOXYLESTERASE I)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 LEU A  98
GLY A 146
GLY A 147
SER A 226
HIS A 471
None
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.2A)
0.93A 1mx1A-2fj0A:
49.2
1mx1A-2fj0A:
30.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 GLY A 146
GLY A 147
SER A 226
PHE A 425
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
None
TFC  A 600 (-4.2A)
0.52A 1mx1D-2fj0A:
46.4
1mx1D-2fj0A:
30.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 LEU A  98
GLY A 146
GLY A 147
SER A 226
HIS A 471
None
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.2A)
0.92A 1mx1D-2fj0A:
46.4
1mx1D-2fj0A:
30.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 GLY A 146
GLY A 147
SER A 226
PHE A 425
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
None
TFC  A 600 (-4.2A)
0.46A 1mx1F-2fj0A:
46.2
1mx1F-2fj0A:
30.41
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.
1N49_D_RITD401_2
(PROTEASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 6 GLY A 352
ILE A 351
PRO A 517
ILE A 508
None
0.87A 1n49D-2fj0A:
undetectable
1n49D-2fj0A:
10.67
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 GLY A 224
GLY A 352
ILE A 351
PRO A 517
ILE A 508
None
0.82A 1ohrA-2fj0A:
undetectable
1ohrA-2fj0A:
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.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 TYR A 427
ASP A 560
ASP A 557
LEU A 446
None
1.02A 1pk2A-2fj0A:
undetectable
1pk2A-2fj0A:
9.31
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.68A 1qtiA-2fj0A:
49.1
1qtiA-2fj0A:
29.29
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
1.36A 1qtiA-2fj0A:
49.1
1qtiA-2fj0A:
29.29
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.
1SH9_B_RITB301_1
(POL POLYPROTEIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 8 ASP A 474
ILE A 508
ILE A 249
GLY A 224
ILE A 143
None
1.42A 1sh9A-2fj0A:
0.3
1sh9A-2fj0A:
10.91
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.65A 1w6rA-2fj0A:
47.5
1w6rA-2fj0A:
29.65
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
1.37A 1w6rA-2fj0A:
47.5
1w6rA-2fj0A:
29.65
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 224
GLY A 228
PHE A 260
PHE A 148
PHE A 425
PHE A 259
None
None
None
None
None
TFC  A 600 (-4.0A)
1.42A 1w6rA-2fj0A:
47.5
1w6rA-2fj0A:
29.65
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.68A 1w76A-2fj0A:
49.2
1w76A-2fj0A:
29.65
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 10 GLY A 145
GLY A 146
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.62A 1w76B-2fj0A:
49.2
1w76B-2fj0A:
29.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 8 GLY A 145
GLY A 146
GLY A 147
ALA A 227
LEU A 313
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
0.77A 1yajC-2fj0A:
45.6
1yajC-2fj0A:
30.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 8 GLY A 145
GLY A 146
GLY A 147
SER A 226
ALA A 227
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
0.56A 1yajC-2fj0A:
45.6
1yajC-2fj0A:
30.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 8 GLY A 228
GLY A 145
GLY A 146
SER A 226
ALA A 227
HIS A 471
None
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
1.15A 1yajC-2fj0A:
45.6
1yajC-2fj0A:
30.76
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 PHE A 451
GLU A 359
GLY A 470
PHE A 466
None
1.00A 1ykiA-2fj0A:
undetectable
1ykiB-2fj0A:
undetectable
1ykiA-2fj0A:
18.11
1ykiB-2fj0A:
18.11
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.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 PHE A 466
PHE A 451
GLU A 359
GLY A 470
None
1.01A 1ykiA-2fj0A:
undetectable
1ykiB-2fj0A:
undetectable
1ykiA-2fj0A:
18.11
1ykiB-2fj0A:
18.11
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.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 PHE A 451
GLU A 359
GLY A 470
PHE A 466
None
1.01A 1ykiC-2fj0A:
undetectable
1ykiD-2fj0A:
undetectable
1ykiC-2fj0A:
18.11
1ykiD-2fj0A:
18.11
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.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 PHE A 466
PHE A 451
GLU A 359
GLY A 470
None
0.99A 1ykiC-2fj0A:
undetectable
1ykiD-2fj0A:
undetectable
1ykiC-2fj0A:
18.11
1ykiD-2fj0A:
18.11
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.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 9 GLY A 145
GLY A 146
SER A 226
ALA A 227
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
0.94A 2aceA-2fj0A:
49.1
2aceA-2fj0A:
29.29
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.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 9 GLY A 145
GLY A 146
SER A 226
ALA A 227
PHE A 150
PHE A 458
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
None
None
1.08A 2aceA-2fj0A:
49.1
2aceA-2fj0A:
29.29
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.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 9 GLY A 146
GLY A 147
SER A 226
ALA A 227
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
0.70A 2aceA-2fj0A:
49.1
2aceA-2fj0A:
29.29
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 7 GLY A 146
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.79A 2ackA-2fj0A:
13.7
2ackA-2fj0A:
29.29
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 10 GLY A 224
GLY A 352
ILE A 351
PRO A 517
ILE A 508
None
0.95A 2aquA-2fj0A:
undetectable
2aquA-2fj0A:
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 ASN A 174
VAL A  58
GLY A  57
GLY A  89
LEU A 202
None
1.05A 2egvA-2fj0A:
undetectable
2egvA-2fj0A:
19.02
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.
2EGV_B_SAMB1400_0
(UPF0088 PROTEIN
AQ_165)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 ASN A 174
VAL A  58
GLY A  57
GLY A  89
LEU A 202
None
1.03A 2egvB-2fj0A:
undetectable
2egvB-2fj0A:
19.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 GLY A 146
GLY A 147
ALA A 227
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
0.30A 2ha4A-2fj0A:
46.5
2ha4A-2fj0A:
31.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 7 GLY A 146
GLY A 147
ALA A 227
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
0.29A 2ha4B-2fj0A:
47.8
2ha4B-2fj0A:
31.40
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.
2JFA_B_RALB600_2
(ESTROGEN RECEPTOR)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 4 LEU A 313
THR A 314
ILE A 472
HIS A 471
TFC  A 600 (-4.2A)
TFC  A 600 ( 4.6A)
None
TFC  A 600 (-4.2A)
1.26A 2jfaB-2fj0A:
undetectable
2jfaB-2fj0A:
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.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 9 GLY A 224
LEU A 222
THR A 232
ALA A 231
LEU A 202
None
1.15A 2npnA-2fj0A:
2.6
2npnA-2fj0A:
17.32
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.
2PIW_A_T3A933_1
(ANDROGEN RECEPTOR)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 10 ILE A 169
GLY A 159
ASN A 482
GLU A  88
ASN A 116
None
1.40A 2piwA-2fj0A:
0.0
2piwA-2fj0A:
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.
2TOD_C_DMOC700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 5 ASP A 355
PHE A 353
ASP A 536
TYR A 534
None
1.40A 2todC-2fj0A:
1.5
2todD-2fj0A:
1.4
2todC-2fj0A:
22.63
2todD-2fj0A:
22.63
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.
2VCV_A_ASDA1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 7 PHE A 316
ALA A 303
LEU A 300
PHE A  70
None
0.87A 2vcvA-2fj0A:
undetectable
2vcvA-2fj0A:
19.00
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 PHE A 316
ALA A 303
LEU A 300
PHE A  70
None
0.84A 2vcvF-2fj0A:
undetectable
2vcvF-2fj0A:
19.00
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.
2VCV_P_ASDP1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 PHE A 316
ALA A 303
LEU A 300
PHE A  70
None
0.59A 2vcvP-2fj0A:
undetectable
2vcvP-2fj0A:
19.00
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.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 MET A 426
PHE A 353
GLY A 352
GLY A 468
None
0.89A 2y6rB-2fj0A:
undetectable
2y6rB-2fj0A:
23.39
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 PRO A  64
LEU A  73
ARG A 197
None
0.81A 3aqiA-2fj0A:
2.8
3aqiA-2fj0A:
20.89
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.
3ARU_A_PNXA607_1
(CHITINASE A)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 8 VAL A 327
GLY A 192
PHE A 182
GLY A 195
ALA A 194
None
1.43A 3aruA-2fj0A:
2.3
3aruA-2fj0A:
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.
3EKX_B_1UNB201_1
(PROTEASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 GLY A 224
GLY A 352
ILE A 351
PRO A 517
ILE A 508
None
0.94A 3ekxA-2fj0A:
undetectable
3ekxA-2fj0A:
10.67
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.
3EKY_A_DR7A100_1
(PROTEASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 10 GLY A 224
GLY A 352
ILE A 351
PRO A 517
ILE A 508
None
0.97A 3ekyA-2fj0A:
undetectable
3ekyA-2fj0A:
10.67
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 PRO A 318
PHE A 259
ALA A 230
None
TFC  A 600 (-4.0A)
None
0.73A 3itaD-2fj0A:
undetectable
3itaD-2fj0A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 PHE A 173
GLY A 195
PHE A 148
THR A 262
LEU A 196
None
1.25A 3iv6A-2fj0A:
undetectable
3iv6A-2fj0A:
20.29
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 PHE A 425
GLY A 352
SER A 252
ASP A 536
ILE A 537
None
1.32A 3iv6B-2fj0A:
undetectable
3iv6B-2fj0A:
20.29
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 8 ASN A 271
ILE A 288
PRO A 285
SER A 187
SER A 184
None
1.47A 3lslA-2fj0A:
undetectable
3lslD-2fj0A:
undetectable
3lslA-2fj0A:
18.92
3lslD-2fj0A:
18.92
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 7 GLY A 145
GLY A 146
SER A 226
LEU A 313
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.2A)
TFC  A 600 (-4.2A)
1.05A 3o9mA-2fj0A:
49.9
3o9mA-2fj0A:
28.80
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 7 GLY A 146
GLY A 147
SER A 226
PHE A 425
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
None
TFC  A 600 (-4.2A)
0.75A 3o9mA-2fj0A:
49.9
3o9mA-2fj0A:
28.80
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 6 GLY A 145
GLY A 146
SER A 226
LEU A 313
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.2A)
TFC  A 600 (-4.2A)
1.09A 3o9mB-2fj0A:
49.8
3o9mB-2fj0A:
28.80
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 6 GLY A 146
GLY A 147
SER A 226
HIS A 471
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.2A)
0.80A 3o9mB-2fj0A:
49.8
3o9mB-2fj0A:
28.80
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 ALA A 194
GLY A 195
TYR A 175
ALA A  61
TYR A  60
None
1.16A 3qxyA-2fj0A:
undetectable
3qxyA-2fj0A:
21.82
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.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 ALA A 194
GLY A 195
TYR A 175
ALA A  61
TYR A  60
None
1.14A 3qxyB-2fj0A:
undetectable
3qxyQ-2fj0A:
undetectable
3qxyB-2fj0A:
21.82
3qxyQ-2fj0A:
2.84
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 ALA A 194
GLY A 195
TYR A 175
ALA A  61
TYR A  60
None
1.13A 3rc0A-2fj0A:
undetectable
3rc0A-2fj0A:
21.82
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 ALA A 194
GLY A 195
TYR A 175
ALA A  61
TYR A  60
None
1.12A 3rc0B-2fj0A:
undetectable
3rc0B-2fj0A:
21.82
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.
3U9F_S_CLMS221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 PHE A 173
THR A 232
LEU A 140
VAL A 170
PHE A 479
None
1.29A 3u9fP-2fj0A:
undetectable
3u9fS-2fj0A:
undetectable
3u9fP-2fj0A:
15.08
3u9fS-2fj0A:
15.08
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.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 LEU A 185
LEU A 292
MET A 295
ALA A 282
ILE A 278
None
0.96A 3ut5D-2fj0A:
2.9
3ut5D-2fj0A:
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.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 PHE A 458
ILE A 508
LEU A 140
GLY A 224
SER A 226
None
None
None
None
TFC  A 600 (-1.4A)
1.31A 4djfB-2fj0A:
undetectable
4djfB-2fj0A:
19.16
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.64A 4ey6A-2fj0A:
48.2
4ey6A-2fj0A:
29.85
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
1.44A 4ey6A-2fj0A:
48.2
4ey6A-2fj0A:
29.85
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.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
0.64A 4ey6B-2fj0A:
42.4
4ey6B-2fj0A:
29.85
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.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
6 / 12 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
1.44A 4ey6B-2fj0A:
42.4
4ey6B-2fj0A:
29.85
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.
4NJV_A_RITA500_2
(PROTEASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 GLY A 224
GLY A 352
ILE A 351
PRO A 517
ILE A 508
None
0.91A 4njvB-2fj0A:
undetectable
4njvB-2fj0A:
10.66
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.
4NJV_D_RITD500_1
(PROTEASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 GLY A 224
GLY A 352
ILE A 351
PRO A 517
ILE A 508
None
0.96A 4njvC-2fj0A:
undetectable
4njvC-2fj0A:
10.66
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.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 HIS A 233
THR A 232
LEU A 432
LEU A 250
PHE A 245
None
1.34A 4pfjB-2fj0A:
undetectable
4pfjB-2fj0A:
22.86
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.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 GLU A 161
THR A 172
HIS A 118
None
0.83A 4q15A-2fj0A:
undetectable
4q15A-2fj0A:
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.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 GLU A 161
THR A 172
HIS A 118
None
0.84A 4q15B-2fj0A:
undetectable
4q15B-2fj0A:
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.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 VAL A  91
GLN A  94
LEU A 308
MET A 103
LEU A  98
None
1.33A 4qckA-2fj0A:
undetectable
4qckA-2fj0A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 LEU A 185
LEU A 292
MET A 295
ALA A 282
ILE A 278
None
0.95A 4x1iD-2fj0A:
2.6
4x1iD-2fj0A:
22.07
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.
4X1Y_D_LOCD502_2
(TUBULIN BETA CHAIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 LEU A 185
LEU A 292
MET A 295
ALA A 282
ILE A 278
None
0.96A 4x1yD-2fj0A:
2.6
4x1yD-2fj0A:
22.07
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 GLU A 161
THR A 172
HIS A 118
None
0.75A 4ydqB-2fj0A:
undetectable
4ydqB-2fj0A:
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.
5DLV_A_5D5A930_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 6 SER A 423
TYR A 427
PHE A 559
TRP A 565
None
1.33A 5dlvA-2fj0A:
1.4
5dlvA-2fj0A:
22.73
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 SER A 226
ALA A 227
HIS A 471
LEU A 313
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
TFC  A 600 (-4.2A)
0.99A 5dzkd-2fj0A:
2.4
5dzkr-2fj0A:
undetectable
5dzkd-2fj0A:
17.60
5dzkr-2fj0A:
1.10
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.
5DZK_T_BEZT801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 SER A 226
ALA A 227
HIS A 471
LEU A 313
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
TFC  A 600 (-4.2A)
1.09A 5dzkF-2fj0A:
2.5
5dzkT-2fj0A:
undetectable
5dzkF-2fj0A:
17.60
5dzkT-2fj0A:
1.10
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.
5DZK_U_BEZU801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 6 PHE A 260
SER A 226
ALA A 227
HIS A 471
None
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
1.28A 5dzkg-2fj0A:
2.5
5dzku-2fj0A:
undetectable
5dzkg-2fj0A:
17.60
5dzku-2fj0A:
1.10
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 6 TYR A 477
TYR A 447
GLY A 470
GLU A 473
None
1.34A 5emlA-2fj0A:
undetectable
5emlA-2fj0A:
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.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 GLY A 379
THR A 399
ASN A 263
PHE A 388
LEU A 387
None
1.22A 5fhzA-2fj0A:
undetectable
5fhzA-2fj0A:
22.78
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.
5IQE_C_NMYC600_1
(BIFUNCTIONAL AAC/APH)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 ASP A 560
ASP A 557
TYR A 427
SER A 256
GLU A 336
None
1.49A 5iqeC-2fj0A:
0.1
5iqeC-2fj0A:
19.71
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 LEU A 183
ASP A 198
GLY A 195
ASN A 193
ASN A 271
None
1.39A 5kbwB-2fj0A:
undetectable
5kbwB-2fj0A:
16.19
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.
5NM5_B_LOCB502_2
(TUBULIN BETA-2B
CHAIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 LEU A 185
LEU A 292
MET A 295
ALA A 282
ILE A 278
None
0.96A 5nm5B-2fj0A:
3.0
5nm5B-2fj0A:
22.24
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 4 LEU A 331
LEU A 196
SER A 255
ALA A 231
None
1.13A 5uunA-2fj0A:
undetectable
5uunA-2fj0A:
18.78
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.
6BXM_A_SAMA402_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 12 LEU A 137
GLY A 136
LEU A 203
ARG A 216
ASP A 218
None
1.06A 6bxmA-2fj0A:
undetectable
6bxmA-2fj0A:
21.40
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
4 / 8 LEU A 163
GLU A 161
THR A 505
ASN A 482
None
1.08A 6c71B-2fj0A:
undetectable
6c71B-2fj0A:
8.89
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 SER A 255
SER A 256
ALA A 340
None
0.63A 6dwnC-2fj0A:
undetectable
6dwnC-2fj0A:
10.34
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.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
5 / 11 GLU A 357
PHE A 259
SER A 226
ALA A 227
LEU A 308
None
TFC  A 600 (-4.0A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
None
1.36A 6efnA-2fj0A:
2.2
6efnA-2fj0A:
22.51
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.
6NKN_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca
sexta)
3 / 3 ARG A 362
PHE A 458
PHE A 365
None
None
TFC  A 600 ( 4.9A)
1.06A 6nknC-2fj0A:
undetectable
6nknJ-2fj0A:
undetectable
6nknC-2fj0A:
18.71
6nknJ-2fj0A:
8.17