SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3hea'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 10 GLY A  27
SER A  94
MET A  95
TRP A  28
HIS A 251
 EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
EEE  A 300 (-4.6A)
None
EEE  A 300 (-4.3A)
 1.29A 1a8uA-3heaA:
43.3		 1a8uA-3heaA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 10 GLY A  27
SER A  94
MET A  95
TRP A  28
HIS A 251
 EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
EEE  A 300 (-4.6A)
None
EEE  A 300 (-4.3A)
 1.31A 1a8uB-3heaA:
43.3		 1a8uB-3heaA:
39.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 ILE A 210
ALA A 234
GLY A 231
ALA A 235
ILE A 238
 None
 0.89A 1bx4A-3heaA:
undetectable		 1bx4A-3heaA:
21.07
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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 THR A 230
ASP A 222
HIS A 251
HIS A 218
 None
None
EEE  A 300 (-4.3A)
None
 1.10A 1ei6A-3heaA:
undetectable		 1ei6A-3heaA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 6 THR A 179
PHE A 162
PHE A  93
GLY A 252
 GOL  A 274 (-4.1A)
None
EEE  A 300 (-4.5A)
None
 1.11A 1icuA-3heaA:
undetectable
1icuB-3heaA:
undetectable		 1icuA-3heaA:
21.75
1icuB-3heaA:
21.75
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.
1ICU_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 PHE A  93
GLY A 252
THR A 179
PHE A 162
 EEE  A 300 (-4.5A)
None
GOL  A 274 (-4.1A)
None
 1.10A 1icuC-3heaA:
undetectable
1icuD-3heaA:
undetectable		 1icuC-3heaA:
21.75
1icuD-3heaA:
21.75
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.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 PHE A  93
GLY A 252
THR A 179
PHE A 162
 EEE  A 300 (-4.5A)
None
GOL  A 274 (-4.1A)
None
 1.21A 1icvA-3heaA:
undetectable
1icvB-3heaA:
undetectable		 1icvA-3heaA:
21.75
1icvB-3heaA:
21.75
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.
1KQB_C_BEZC522_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 6 THR A 179
PHE A 162
PHE A  93
GLY A 252
 GOL  A 274 (-4.1A)
None
EEE  A 300 (-4.5A)
None
 1.15A 1kqbC-3heaA:
undetectable
1kqbD-3heaA:
undetectable		 1kqbC-3heaA:
23.71
1kqbD-3heaA:
23.71
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.
1KQB_D_BEZD523_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 6 PHE A  93
GLY A 252
THR A 179
PHE A 162
 EEE  A 300 (-4.5A)
None
GOL  A 274 (-4.1A)
None
 1.09A 1kqbC-3heaA:
undetectable
1kqbD-3heaA:
undetectable		 1kqbC-3heaA:
23.71
1kqbD-3heaA:
23.71
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.
1NOD_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.09A 1nodA-3heaA:
0.0		 1nodA-3heaA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 10 ALA A 190
THR A 191
VAL A 192
ALA A 197
THR A 196
 None
None
None
None
GOL  A 273 (-3.6A)
 1.18A 1r55A-3heaA:
undetectable		 1r55A-3heaA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 ARG A 151
SER A  94
VAL A 121
VAL A 225
HIS A 251
 None
EEE  A 300 (-1.4A)
None
None
EEE  A 300 (-4.3A)
 1.34A 1x70B-3heaA:
undetectable		 1x70B-3heaA:
18.39
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.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 10 THR A 214
GLU A 242
GLY A 240
LEU A 243
ALA A 235
 None
 0.98A 1x7pA-3heaA:
2.3
1x7pB-3heaA:
undetectable		 1x7pA-3heaA:
24.15
1x7pB-3heaA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_E_SC2E1289_1
(FICOLIN-2)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 6 ARG A  55
ASP A  68
THR A  71
ASP A   7
 None
 0.82A 2j2pE-3heaA:
undetectable
2j2pF-3heaA:
undetectable		 2j2pE-3heaA:
21.38
2j2pF-3heaA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 7 VAL A 195
THR A 196
PHE A 198
THR A 201
 None
GOL  A 273 (-3.6A)
EEE  A 300 ( 4.3A)
None
 1.14A 2kotA-3heaA:
undetectable		 2kotA-3heaA:
16.24
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.
2NOD_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.07A 2nodA-3heaA:
0.0		 2nodA-3heaA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QJU_A_DSMA801_1
(TRANSPORTER)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 11 LEU A 115
LEU A 117
ILE A 210
PHE A 268
ALA A 235
 None
 1.18A 2qjuA-3heaA:
undetectable		 2qjuA-3heaA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		3 / 3 ARG A  55
GLU A  81
SER A  60
 None
 0.93A 2xkkA-3heaA:
2.6
2xkkC-3heaA:
undetectable		 2xkkA-3heaA:
16.78
2xkkC-3heaA:
16.78
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 GLY A  92
GLY A  96
LEU A 118
LEU A  23
VAL A  22
 None
 0.67A 2yqzB-3heaA:
2.4		 2yqzB-3heaA:
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 GLN A 260
GLY A 219
ILE A 217
GLY A 119
GLN A 169
 SO4  A 277 (-3.0A)
None
None
None
None
 0.81A 3bwcA-3heaA:
2.7		 3bwcA-3heaA:
24.32
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.
3E7G_D_H4BD3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 8 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.07A 3e7gC-3heaA:
0.5
3e7gD-3heaA:
undetectable		 3e7gC-3heaA:
19.49
3e7gD-3heaA:
19.49
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.
3EJ8_A_H4BA1902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 7 MET A  34
ARG A  54
ILE A 182
TRP A  35
 None
 1.21A 3ej8A-3heaA:
0.0
3ej8B-3heaA:
0.0		 3ej8A-3heaA:
19.49
3ej8B-3heaA:
19.49
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.
3EJ8_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 7 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.27A 3ej8A-3heaA:
0.0
3ej8B-3heaA:
0.0		 3ej8A-3heaA:
19.49
3ej8B-3heaA:
19.49
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.
3EJ8_C_H4BC3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 7 MET A  34
ARG A  54
ILE A 182
TRP A  35
 None
 1.27A 3ej8C-3heaA:
0.0
3ej8D-3heaA:
0.0		 3ej8C-3heaA:
19.49
3ej8D-3heaA:
19.49
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.
3EJ8_D_H4BD4902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 7 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.16A 3ej8C-3heaA:
0.0
3ej8D-3heaA:
0.0		 3ej8C-3heaA:
19.49
3ej8D-3heaA:
19.49
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.11A 3keeA-3heaA:
undetectable		 3keeA-3heaA:
19.49
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.07A 3keeB-3heaA:
undetectable		 3keeB-3heaA:
19.49
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.08A 3keeC-3heaA:
undetectable		 3keeC-3heaA:
19.49
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.07A 3keeD-3heaA:
undetectable		 3keeD-3heaA:
19.49
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.
3NOD_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.07A 3nodA-3heaA:
0.0		 3nodA-3heaA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 0.96A 3sueA-3heaA:
undetectable		 3sueA-3heaA:
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.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 0.93A 3sueB-3heaA:
undetectable		 3sueB-3heaA:
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.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.03A 3sueC-3heaA:
undetectable		 3sueC-3heaA:
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.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 0.98A 3sufA-3heaA:
undetectable		 3sufA-3heaA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		6 / 12 VAL A 225
HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 None
EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.16A 3sufB-3heaA:
undetectable		 3sufB-3heaA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 11 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.07A 3sufC-3heaA:
undetectable		 3sufC-3heaA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 ARG A 204
LEU A 237
VAL A 233
ASP A 202
 None
 1.09A 3ufnA-3heaA:
undetectable
3ufnB-3heaA:
undetectable		 3ufnA-3heaA:
14.93
3ufnB-3heaA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A3P_A_ACTA1223_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 5 ASP A 264
LEU A 215
GLU A 242
LYS A 244
 None
 1.06A 4a3pA-3heaA:
undetectable		 4a3pA-3heaA:
23.13
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.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 7 TYR A  69
ASP A  99
SER A  25
HIS A  26
 None
 1.24A 4arcA-3heaA:
undetectable		 4arcA-3heaA:
15.02
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.
4AX8_A_SAMA1474_1
(WBDD)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 6 TYR A 163
GLN A 176
GLU A 146
LEU A 180
 None
 1.21A 4ax8A-3heaA:
2.9		 4ax8A-3heaA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 ARG A 151
SER A  94
VAL A 121
VAL A 225
HIS A 251
 None
EEE  A 300 (-1.4A)
None
None
EEE  A 300 (-4.3A)
 1.29A 4ffwA-3heaA:
15.9		 4ffwA-3heaA:
16.51
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 7 PHE A  57
ASP A  53
PRO A  63
ASP A  99
 None
 0.84A 4pcuA-3heaA:
undetectable		 4pcuA-3heaA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QGI_A_ROCA101_1
(PROTEASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 11 GLY A 221
ALA A 249
ILE A 217
GLY A 119
VAL A 255
 None
 0.99A 4qgiA-3heaA:
undetectable		 4qgiA-3heaA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 8 ASN A 262
GLU A  36
VAL A 171
SER A 172
 None
 0.84A 4r20A-3heaA:
undetectable		 4r20A-3heaA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 ILE A 210
ALA A 234
GLY A 231
ALA A 235
ILE A 238
 None
 0.90A 5kb6A-3heaA:
undetectable		 5kb6A-3heaA:
22.89
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.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 ILE A 210
ALA A 234
GLY A 231
ALA A 235
ILE A 238
 None
 0.88A 5kb6B-3heaA:
4.4		 5kb6B-3heaA:
22.89
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.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		4 / 8 LEU A 117
ALA A 105
VAL A 216
MET A 207
 None
 0.97A 5nu7A-3heaA:
undetectable		 5nu7A-3heaA:
21.52
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.
5Z6J_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		3 / 3 MET A  39
ASP A  33
ARG A  54
 None
 0.89A 5z6jA-3heaA:
undetectable		 5z6jA-3heaA:
20.45
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.
5Z6K_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		3 / 3 MET A  39
ASP A  33
ARG A  54
 None
 1.07A 5z6kA-3heaA:
undetectable		 5z6kA-3heaA:
20.45
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 0.99A 6c2mC-3heaA:
undetectable		 6c2mC-3heaA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3hea ARYLESTERASE
(Pseudomonas
fluorescens) 		5 / 12 LEU A 147
SER A  94
PHE A 125
HIS A 251
VAL A 121
 None
EEE  A 300 (-1.4A)
None
EEE  A 300 (-4.3A)
None
 1.33A 6djzB-3heaA:
undetectable		 6djzB-3heaA:
21.31