SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1jji'

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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 1dx6A-1jjiA:
18.7		 1dx6A-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 6 HIS A 183
LEU A  82
LEU A 308
PRO A  80
 None
 1.14A 1hz4A-1jjiA:
0.0		 1hz4A-1jjiA:
21.00
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 1qtiA-1jjiA:
3.8		 1qtiA-1jjiA:
21.18
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.
1VE3_B_SAMB301_0
(HYPOTHETICAL PROTEIN
PH0226)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 TYR A  85
GLY A 163
ILE A 185
ALA A 247
SER A 170
 None
 1.10A 1ve3B-1jjiA:
2.5		 1ve3B-1jjiA:
23.01
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 1w6rA-1jjiA:
18.8		 1w6rA-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.05A 1w76A-1jjiA:
17.5		 1w76A-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 10 GLY A  87
GLY A  88
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 0.98A 1w76B-1jjiA:
3.5		 1w76B-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 8 GLY A  87
GLY A  88
GLY A  89
SER A 160
ALA A 161
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 0.46A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 8 GLY A  87
GLY A  88
GLY A  89
SER A 160
ILE A 209
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
None
 1.04A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 8 GLY A  88
GLY A  89
SER A 160
ALA A 161
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 0.93A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 8 GLY A 157
GLY A 158
GLY A 163
ALA A 166
ILE A 249
 None
 0.94A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 8 GLY A 162
GLY A  87
GLY A  88
SER A 160
ALA A 161
HIS A 285
 None
EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 1.24A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		3 / 3 TRP A 208
LEU A  20
LYS A  22
 None
 1.26A 1yajK-1jjiA:
18.5		 1yajK-1jjiA:
21.08
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.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 9 GLY A  88
GLY A  89
SER A 160
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 0.99A 2aceA-1jjiA:
4.1		 2aceA-1jjiA:
21.18
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.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		3 / 3 ASP A   7
ILE A 288
VAL A 278
 None
 0.71A 2avvD-1jjiA:
undetectable		 2avvD-1jjiA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 8 GLY A  88
GLY A  89
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 2ha4A-1jjiA:
18.5		 2ha4A-1jjiA:
20.99
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 7 GLY A  88
GLY A  89
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.03A 2ha4B-1jjiA:
18.9		 2ha4B-1jjiA:
20.99
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 7 GLY A  88
GLY A  89
SER A 160
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-4.6A)
 0.60A 3o9mA-1jjiA:
4.1		 3o9mA-1jjiA:
20.17
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 6 GLY A  88
GLY A  89
SER A 160
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-4.6A)
 0.64A 3o9mB-1jjiA:
5.6		 3o9mB-1jjiA:
20.17
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.
3P4W_A_DSFA319_1
(GLR4197 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 9 TYR A  85
ILE A 181
ILE A 154
VAL A 169
THR A 137
 None
 1.31A 3p4wA-1jjiA:
0.0		 3p4wA-1jjiA:
23.85
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		3 / 3 THR A 251
ASP A 259
GLU A 202
 None
 0.78A 3qowA-1jjiA:
2.1		 3qowA-1jjiA:
20.97
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.17A 3qxyA-1jjiA:
undetectable		 3qxyA-1jjiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.19A 3qxyB-1jjiA:
0.0
3qxyQ-1jjiA:
undetectable		 3qxyB-1jjiA:
20.25
3qxyQ-1jjiA:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.19A 3rc0A-1jjiA:
undetectable		 3rc0A-1jjiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.19A 3rc0B-1jjiA:
undetectable		 3rc0B-1jjiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A 163
VAL A  83
GLY A 261
ALA A 247
ALA A 275
 None
 1.02A 3sueC-1jjiA:
undetectable		 3sueC-1jjiA:
20.69
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.
3SUF_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A 163
VAL A  83
GLY A 261
ALA A 247
ALA A 275
 None
 0.98A 3sufD-1jjiA:
undetectable		 3sufD-1jjiA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 161
TYR A  40
TYR A 118
PHE A 218
GLY A 162
 EPE  A 455 (-3.4A)
None
None
EPE  A 455 ( 4.9A)
None
 1.13A 3vwqA-1jjiA:
0.0		 3vwqA-1jjiA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 HIS A 285
GLY A  89
GLY A  87
TYR A 188
ALA A 121
 EPE  A 455 (-4.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.0A)
None
None
 1.17A 3vywB-1jjiA:
undetectable		 3vywB-1jjiA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_D_SAMD401_0
(MNMC2)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 HIS A 285
GLY A  89
GLY A  87
TYR A 188
ALA A 121
 EPE  A 455 (-4.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.0A)
None
None
 1.14A 3vywD-1jjiA:
undetectable		 3vywD-1jjiA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.01A 4ey6A-1jjiA:
19.0		 4ey6A-1jjiA:
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.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.00A 4ey6B-1jjiA:
18.0		 4ey6B-1jjiA:
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 GLY A  88
SER A 160
TRP A 217
HIS A 285
GLY A 286
 EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
None
EPE  A 455 (-4.6A)
None
 1.34A 4ey7A-1jjiA:
19.0		 4ey7A-1jjiA:
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 GLY A  88
SER A 160
TRP A 217
HIS A 285
GLY A 286
 EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
None
EPE  A 455 (-4.6A)
None
 1.35A 4ey7B-1jjiA:
18.8		 4ey7B-1jjiA:
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.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 277
ILE A 105
LEU A 101
GLY A 157
ILE A 185
 None
 0.85A 4o1eA-1jjiA:
undetectable		 4o1eA-1jjiA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 277
ILE A 105
LEU A 101
GLY A 158
ILE A 185
 None
 1.11A 4o1eA-1jjiA:
undetectable		 4o1eA-1jjiA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 277
ILE A 105
LEU A 101
GLY A 157
ILE A 185
 None
 0.81A 4o1eB-1jjiA:
undetectable		 4o1eB-1jjiA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 277
ILE A 105
LEU A 101
GLY A 158
ILE A 185
 None
 1.03A 4o1eB-1jjiA:
undetectable		 4o1eB-1jjiA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 168
CYH A 133
ASP A 135
GLU A 142
ALA A 141
 None
 1.15A 4pclA-1jjiA:
3.1		 4pclA-1jjiA:
22.05
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.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 7 ILE A 187
LEU A 248
ALA A 300
ILE A 288
 None
 0.87A 4y03A-1jjiA:
undetectable		 4y03A-1jjiA:
17.36
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.
4ZZB_D_ACTD403_0
(PROTON-GATED ION
CHANNEL)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 4 ILE A   6
ARG A 281
TYR A 254
GLU A 253
 None
 1.31A 4zzbD-1jjiA:
undetectable		 4zzbD-1jjiA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 5 ILE A   6
ARG A 281
TYR A 254
GLU A 253
 None
 1.25A 4zzcE-1jjiA:
0.0		 4zzcE-1jjiA:
23.85
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.
5DNU_A_BEZA319_0
(SHKAI2IB)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 5 GLN A 303
ILE A 250
ILE A 288
TYR A 280
 None
 0.89A 5dnuA-1jjiA:
14.5		 5dnuA-1jjiA:
23.51
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.
5DNV_A_BEZA304_0
(SHKAI2IB)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 5 GLN A 303
ILE A 250
ILE A 288
TYR A 280
 None
 0.85A 5dnvA-1jjiA:
14.1		 5dnvA-1jjiA:
23.51
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 TYR A  16
ILE A  36
ALA A  35
TYR A  32
GLY A  88
 None
None
None
None
EPE  A 455 (-3.7A)
 0.93A 5i71A-1jjiA:
undetectable		 5i71A-1jjiA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 TYR A  16
ILE A  36
ALA A  35
TYR A  32
GLY A  88
 None
None
None
None
EPE  A 455 (-3.7A)
 0.92A 5i73A-1jjiA:
undetectable		 5i73A-1jjiA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 TYR A  16
ILE A  36
ALA A  35
TYR A  32
GLY A  88
 None
None
None
None
EPE  A 455 (-3.7A)
 0.94A 5i75A-1jjiA:
0.0		 5i75A-1jjiA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVN_D_PFLD410_1
(PROTON-GATED ION
CHANNEL)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 10 TYR A  85
ILE A 181
ILE A 154
VAL A 169
THR A 137
 None
 1.41A 5mvnD-1jjiA:
0.0		 5mvnD-1jjiA:
14.52
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.
5QGK_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		3 / 3 VAL A  53
TYR A  73
GLN A  74
 None
 0.57A 5qgkA-1jjiA:
0.0		 5qgkA-1jjiA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGR_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		3 / 3 VAL A  53
TYR A  73
GLN A  74
 None
 0.60A 5qgrA-1jjiA:
0.0		 5qgrA-1jjiA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGT_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		3 / 3 VAL A  53
TYR A  73
GLN A  74
 None
 0.57A 5qgtA-1jjiA:
0.0		 5qgtA-1jjiA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 234
VAL A 130
GLY A 162
LEU A 210
LEU A 257
 None
None
None
None
EPE  A 455 (-4.9A)
 1.17A 5x23A-1jjiA:
undetectable		 5x23A-1jjiA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 5 GLY A  63
ASP A 135
ARG A 119
ARG A  64
 None
 1.24A 6dwdB-1jjiA:
0.0
6dwdD-1jjiA:
0.0		 6dwdB-1jjiA:
20.04
6dwdD-1jjiA:
20.04
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 5 ARG A 119
ARG A  64
GLY A  63
ASP A 135
 None
 1.22A 6dwjB-1jjiA:
1.2
6dwjD-1jjiA:
1.0		 6dwjB-1jjiA:
20.04
6dwjD-1jjiA:
20.04
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.
6GNE_A_ACRA602_2
(-)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 6 TYR A  10
HIS A 285
TYR A 254
GLU A 262
 None
EPE  A 455 (-4.6A)
None
None
 1.38A 6gneA-1jjiA:
5.3		 6gneA-1jjiA:
19.80
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)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 11 ILE A  92
HIS A  98
ASP A 159
LEU A 210
HIS A 285
GLY A 286
 None
None
None
None
EPE  A 455 (-4.6A)
None
 0.55A 6ieyA-1jjiA:
37.3
6ieyB-1jjiA:
37.5		 6ieyA-1jjiA:
40.63
6ieyB-1jjiA:
40.63