SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1evq'

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.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 HIS A  93
LEU A 115
SER A 185
GLY A  84
 None
None
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
 1.06A 1a4lB-1evqA:
undetectable		 1a4lB-1evqA:
23.08
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.23A 1dx6A-1evqA:
18.1		 1dx6A-1evqA:
23.45
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.95A 1dx6A-1evqA:
18.1		 1dx6A-1evqA:
23.45
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.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
TYR A  79
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
None
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 1.35A 1maaC-1evqA:
18.0		 1maaC-1evqA:
23.42
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.90A 1qtiA-1evqA:
17.4		 1qtiA-1evqA:
23.45
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.25A 1w6rA-1evqA:
18.0		 1w6rA-1evqA:
23.45
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.95A 1w6rA-1evqA:
18.0		 1w6rA-1evqA:
23.45
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.91A 1w76A-1evqA:
17.2		 1w76A-1evqA:
23.45
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  83
GLY A  84
SER A 155
LEU A 205
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
 0.44A 1ya4B-1evqA:
4.1		 1ya4B-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  83
GLY A  84
SER A 155
LEU A 205
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
 0.44A 1ya4C-1evqA:
17.5		 1ya4C-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 8 GLY A  82
GLY A  83
GLY A  84
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.30A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 8 GLY A  82
GLY A  83
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.96A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 8 GLY A  83
GLY A  84
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.84A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 8 GLY A 152
GLY A 153
GLY A 158
ALA A 161
ILE A 246
 None
 0.91A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 9 GLY A  82
GLY A  83
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.92A 2aceA-1evqA:
4.1		 2aceA-1evqA:
23.45
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.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 9 GLY A  83
GLY A  84
SER A 155
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.82A 2aceA-1evqA:
4.1		 2aceA-1evqA:
23.45
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.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 ASP A 189
VAL A 257
PRO A 253
 None
 0.78A 2avvA-1evqA:
0.0		 2avvA-1evqA:
14.85
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.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 8 GLY A  83
GLY A  84
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.89A 2ha4A-1evqA:
17.9		 2ha4A-1evqA:
23.05
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 7 GLY A  83
GLY A  84
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.90A 2ha4B-1evqA:
18.3		 2ha4B-1evqA:
23.05
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.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 PHE A 121
TYR A 218
LEU A 160
VAL A 163
 None
 1.20A 2m56A-1evqA:
0.0		 2m56A-1evqA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  83
 None
None
None
None
EPE  A 455 (-3.3A)
 1.28A 3g1uD-1evqA:
3.7		 3g1uD-1evqA:
21.65
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 4 GLN A 179
PRO A 243
VAL A 272
GLU A 273
 None
 1.27A 3huoA-1evqA:
0.0		 3huoA-1evqA:
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 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
 1.12A 3keeA-1evqA:
undetectable		 3keeA-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.08A 3keeB-1evqA:
undetectable		 3keeB-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
VAL A  96
GLY A  82
SER A 155
 EPE  A 455 (-4.0A)
None
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
 1.05A 3keeB-1evqA:
undetectable		 3keeB-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.08A 3keeD-1evqA:
undetectable		 3keeD-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 8 ARG A 255
ALA A 249
THR A 248
GLY A 187
 None
 0.95A 3ny4A-1evqA:
undetectable		 3ny4A-1evqA:
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.33A 3o9mA-1evqA:
18.2		 3o9mA-1evqA:
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.40A 3o9mB-1evqA:
3.5		 3o9mB-1evqA:
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.11A 3qxyA-1evqA:
undetectable		 3qxyA-1evqA:
20.44
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.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.13A 3qxyB-1evqA:
0.0
3qxyQ-1evqA:
undetectable		 3qxyB-1evqA:
20.44
3qxyQ-1evqA:
7.65
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.
3R24_A_SAMA302_1
(2'-O-METHYL
TRANSFERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 TYR A  65
ASP A  89
ASP A  94
 None
 0.58A 3r24A-1evqA:
undetectable		 3r24A-1evqA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.15A 3rc0A-1evqA:
undetectable		 3rc0A-1evqA:
20.44
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.14A 3rc0B-1evqA:
undetectable		 3rc0B-1evqA:
20.44
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.
3SUE_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 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
 0.99A 3sueA-1evqA:
undetectable		 3sueA-1evqA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 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
 0.96A 3sueB-1evqA:
undetectable		 3sueB-1evqA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 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
 1.05A 3sueC-1evqA:
undetectable		 3sueC-1evqA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 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
 1.01A 3sufA-1evqA:
undetectable		 3sufA-1evqA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 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
 0.98A 3sufB-1evqA:
undetectable		 3sufB-1evqA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 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
 1.11A 3sufC-1evqA:
undetectable		 3sufC-1evqA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 PHE A 214
PHE A  30
ALA A  27
LEU A 115
 EPE  A 455 (-4.8A)
None
None
None
 1.11A 3t3sC-1evqA:
0.0		 3t3sC-1evqA:
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.
3VYW_B_SAMB401_0
(MNMC2)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
GLY A  84
GLY A  82
TYR A 183
ALA A 116
 EPE  A 455 (-4.0A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.5A)
None
None
 1.12A 3vywB-1evqA:
undetectable		 3vywB-1evqA:
21.80
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.
3VYW_D_SAMD401_0
(MNMC2)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
GLY A  84
GLY A  82
TYR A 183
ALA A 116
 EPE  A 455 (-4.0A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.5A)
None
None
 1.10A 3vywD-1evqA:
undetectable		 3vywD-1evqA:
21.80
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A  76
PHE A 142
VAL A 107
ASP A 141
ALA A 140
 None
 1.48A 4df3A-1evqA:
2.5		 4df3A-1evqA:
23.34
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.
4DF3_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A  76
PHE A 142
VAL A 107
ASP A 141
ALA A 140
 None
 1.47A 4df3B-1evqA:
undetectable		 4df3B-1evqA:
23.34
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.89A 4ey6A-1evqA:
5.9		 4ey6A-1evqA:
22.79
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.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.88A 4ey6B-1evqA:
17.5		 4ey6B-1evqA:
22.79
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A  83
SER A 155
TRP A 213
HIS A 282
GLY A 283
 EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
None
 1.37A 4ey7A-1evqA:
18.2		 4ey7A-1evqA:
22.79
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A  83
SER A 155
TRP A 213
HIS A 282
GLY A 283
 EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
None
 1.39A 4ey7B-1evqA:
18.2		 4ey7B-1evqA:
22.79
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.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A 182
ILE A   7
GLY A 293
ALA A 294
LEU A 298
 None
 0.84A 4o1zA-1evqA:
0.0		 4o1zA-1evqA:
19.69
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 8 ALA A 244
GLY A 158
THR A 186
VAL A 233
 None
 0.81A 4r20A-1evqA:
0.0		 4r20A-1evqA:
22.94
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.
5CU6_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 TYR A  74
ILE A 149
VAL A 107
ALA A  76
 None
 0.93A 5cu6A-1evqA:
undetectable		 5cu6A-1evqA:
21.35
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 ARG A 171
GLU A 170
GLU A 126
VAL A 125
 None
 1.29A 5h4dA-1evqA:
undetectable		 5h4dA-1evqA:
21.99
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 VAL A  45
ARG A  49
GLU A  47
LEU A 144
 None
 1.07A 5umwB-1evqA:
0.0
5umwE-1evqA:
0.0		 5umwB-1evqA:
12.50
5umwE-1evqA:
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  82
 None
None
None
None
EPE  A 455 (-3.5A)
 1.44A 6aphA-1evqA:
6.7		 6aphA-1evqA:
20.08
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  83
 None
None
None
None
EPE  A 455 (-3.3A)
 1.29A 6aphA-1evqA:
6.7		 6aphA-1evqA:
20.08
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.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 GLY A 209
THR A 207
GLU A 202
 None
 0.61A 6b58A-1evqA:
0.9		 6b58A-1evqA:
19.52
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6IEY_A_CLMA401_0
(ESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 HIS A  93
ASP A 154
LEU A 206
HIS A 282
GLY A 283
 None
None
None
EPE  A 455 (-4.0A)
None
 0.38A 6ieyA-1evqA:
41.0
6ieyB-1evqA:
40.9		 6ieyA-1evqA:
46.06
6ieyB-1evqA:
46.06