SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1dub'

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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 12 PRO A  55
GLY A 136
GLY A  90
VAL A 134
ALA A  95
 None
 1.10A 1nv8A-1dubA:
undetectable		 1nv8A-1dubA:
25.40
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.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 12 LEU A 139
CYH A 143
LEU A 145
ALA A 146
PHE A 160
 None
 1.28A 1s9pB-1dubA:
undetectable		 1s9pB-1dubA:
20.62
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.
2O4N_A_TPVA300_2
(PROTEASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 8 ARG A 197
LEU A 139
ILE A 100
GLY A 168
ILE A 165
 CAA  A 300 ( 4.8A)
None
CAA  A 300 (-4.2A)
None
None
 1.21A 2o4nB-1dubA:
undetectable		 2o4nB-1dubA:
16.86
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 7 ILE A 151
CYH A 149
ILE A 126
ILE A  85
 None
 0.88A 2q83A-1dubA:
undetectable		 2q83A-1dubA:
22.50
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.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 10 ALA A 285
ASN A 286
GLU A 281
ALA A 278
SER A 277
 None
 1.38A 2r2vC-1dubA:
0.0
2r2vF-1dubA:
0.0
2r2vG-1dubA:
0.0		 2r2vC-1dubA:
17.53
2r2vF-1dubA:
17.53
2r2vG-1dubA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_B_ASDB1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 6 PHE A 160
LEU A 218
ALA A 132
ALA A 138
 None
 0.88A 2vcvB-1dubA:
0.0		 2vcvB-1dubA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 7 PHE A 160
LEU A 218
ALA A 132
ALA A 138
 None
 1.01A 2vcvG-1dubA:
0.0		 2vcvG-1dubA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_K_ASDK1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 6 PHE A 160
LEU A 218
ALA A 132
ALA A 138
 None
 0.93A 2vcvK-1dubA:
undetectable		 2vcvK-1dubA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 12 GLY A 175
ILE A  66
LEU A 145
GLY A 142
GLY A 141
 None
None
None
None
CAA  A 300 (-3.6A)
 1.01A 3axzA-1dubA:
0.3		 3axzA-1dubA:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_A_BEZA264_0
(CARNITINYL-COA
DEHYDRATASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 6 ALA A  98
GLU A 144
GLU A 164
ALA A 173
 CAA  A 300 (-3.6A)
CAA  A 300 ( 3.0A)
CAA  A 300 ( 3.5A)
CAA  A 300 ( 4.7A)
 0.35A 3r9sA-1dubA:
26.5		 3r9sA-1dubA:
36.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 6 ALA A  98
GLU A 144
GLU A 164
ALA A 173
 CAA  A 300 (-3.6A)
CAA  A 300 ( 3.0A)
CAA  A 300 ( 3.5A)
CAA  A 300 ( 4.7A)
 0.31A 3r9sC-1dubA:
25.9		 3r9sC-1dubA:
36.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_A_BEZA264_0
(ECHA1_1)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 8 ALA A  98
GLU A 144
GLU A 164
ALA A 173
 CAA  A 300 (-3.6A)
CAA  A 300 ( 3.0A)
CAA  A 300 ( 3.5A)
CAA  A 300 ( 4.7A)
 0.32A 3r9tA-1dubA:
26.7		 3r9tA-1dubA:
36.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_C_BEZC264_0
(ECHA1_1)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 5 ALA A  98
GLU A 144
GLU A 164
ALA A 173
 CAA  A 300 (-3.6A)
CAA  A 300 ( 3.0A)
CAA  A 300 ( 3.5A)
CAA  A 300 ( 4.7A)
 0.38A 3r9tC-1dubA:
26.6		 3r9tC-1dubA:
36.49
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 5 GLY A 172
THR A 176
ILE A 165
VAL A 192
 CAA  A 300 (-3.2A)
None
None
None
 0.86A 3wriA-1dubA:
0.0		 3wriA-1dubA:
17.97
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.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 5 GLY A 172
THR A 176
ILE A 165
VAL A 192
 CAA  A 300 (-3.2A)
None
None
None
 0.84A 3wriB-1dubA:
0.0		 3wriB-1dubA:
17.97
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 7 ALA A 154
PHE A 160
ALA A 138
ALA A 132
 None
 0.82A 4du2A-1dubA:
0.0		 4du2A-1dubA:
19.92
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.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 7 ALA A 154
PHE A 160
ALA A 138
ALA A 132
 None
 0.76A 4du2B-1dubA:
0.0		 4du2B-1dubA:
19.92
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		3 / 3 GLY A  48
GLU A  39
THR A  38
 None
 0.52A 4kouA-1dubA:
0.0		 4kouA-1dubA:
20.38
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		3 / 3 LYS A 128
ILE A  85
ILE A  50
 None
 0.70A 4y0qA-1dubA:
0.2		 4y0qA-1dubA:
19.32
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 12 GLY A 175
ILE A  66
LEU A 145
GLY A 142
GLY A 141
 None
None
None
None
CAA  A 300 (-3.6A)
 1.06A 4yvgA-1dubA:
undetectable		 4yvgA-1dubA:
22.76
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 8 GLY A 136
VAL A 134
ALA A 146
LEU A 145
GLY A  97
 None
None
None
None
CAA  A 300 ( 3.9A)
 1.21A 4zauA-1dubA:
undetectable		 4zauA-1dubA:
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.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 7 GLY A 172
THR A 176
ILE A 165
VAL A 192
 CAA  A 300 (-3.2A)
None
None
None
 0.82A 5ik1A-1dubA:
0.0		 5ik1A-1dubA:
18.63
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.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 6 PHE A  94
ILE A 152
LEU A 218
GLY A 155
 None
 0.97A 5x5qE-1dubA:
undetectable		 5x5qE-1dubA:
21.04
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		6 / 12 GLY A 140
GLY A 175
ILE A  66
LEU A 145
GLY A 142
GLY A 141
 CAA  A 300 (-3.1A)
None
None
None
None
CAA  A 300 (-3.6A)
 1.40A 5zhmB-1dubA:
undetectable		 5zhmB-1dubA:
20.41
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		4 / 6 GLY A 172
ASP A 121
GLY A 140
GLY A 142
 CAA  A 300 (-3.2A)
None
CAA  A 300 (-3.1A)
None
 0.74A 6ag0C-1dubA:
undetectable		 6ag0C-1dubA:
22.93
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.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 1dub 2-ENOYL-COA
HYDRATASE
(Rattus
norvegicus) 		5 / 12 LEU A  87
GLY A  89
ILE A  85
VAL A  47
ILE A  50
 None
 1.00A 6emuC-1dubA:
undetectable		 6emuC-1dubA:
20.57