SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ju1'

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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 ALA A 154
ILE A 153
LEU A 172
LEU A 253
PHE A 182
 None
 1.18A 1dtlA-3ju1A:
undetectable		 1dtlA-3ju1A:
18.34
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.
1EIZ_A_SAMA301_0
(FTSJ)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 GLY A 137
GLY A 168
LEU A 112
LEU A  70
LYS A 145
 None
 0.94A 1eizA-3ju1A:
undetectable		 1eizA-3ju1A:
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.
1EJ0_A_SAMA301_0
(FTSJ)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 GLY A 137
GLY A 168
LEU A 112
LEU A  70
LYS A 145
 None
 0.96A 1ej0A-3ju1A:
undetectable		 1ej0A-3ju1A:
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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		3 / 3 ALA A  66
VAL A  68
TRP A  59
 None
 0.99A 1gmkC-3ju1A:
undetectable
1gmkD-3ju1A:
undetectable		 1gmkC-3ju1A:
5.15
1gmkD-3ju1A:
5.15
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 GLY A  81
GLY A 133
ALA A 154
ASP A  45
VAL A  37
 None
 1.25A 1i9gA-3ju1A:
undetectable		 1i9gA-3ju1A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		3 / 3 ALA A 355
VAL A 357
TRP A 300
 None
 0.93A 1magA-3ju1A:
undetectable		 1magA-3ju1A:
5.15
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		3 / 3 ALA A 355
VAL A 357
TRP A 300
 None
 0.93A 1magB-3ju1A:
undetectable		 1magB-3ju1A:
5.15
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		3 / 3 ALA A 355
VAL A 357
TRP A 300
 None
 0.92A 1ng8A-3ju1A:
undetectable		 1ng8A-3ju1A:
3.93
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		3 / 3 ALA A 355
VAL A 357
TRP A 300
 None
 0.92A 1ng8B-3ju1A:
undetectable		 1ng8B-3ju1A:
3.93
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.
1RU9_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 9 ALA A 140
LEU A 136
GLY A 135
PHE A  78
GLY A 127
 None
 1.12A 1ru9H-3ju1A:
undetectable
1ru9L-3ju1A:
undetectable		 1ru9H-3ju1A:
20.82
1ru9L-3ju1A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 10 ALA A 140
LEU A 136
GLY A 135
PHE A  78
GLY A 127
 None
 1.12A 1ruaH-3ju1A:
undetectable
1ruaL-3ju1A:
undetectable		 1ruaH-3ju1A:
20.82
1ruaL-3ju1A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		6 / 12 HIS A 189
GLY A  81
LEU A  41
VAL A  84
PRO A 156
ILE A 160
 None
 1.42A 1zq9B-3ju1A:
undetectable		 1zq9B-3ju1A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 LEU A 343
GLY A  82
CYH A  79
ASP A  83
ALA A  43
 None
FMT  A 403 ( 4.3A)
None
None
None
 1.11A 2br4A-3ju1A:
undetectable		 2br4A-3ju1A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XYT_D_TC9D1206_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		4 / 7 TYR A 163
TRP A 321
TYR A 110
GLU A 107
 None
 1.43A 2xytD-3ju1A:
0.0		 2xytD-3ju1A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XYT_G_TC9G1206_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		4 / 7 TYR A 163
TRP A 321
TYR A 110
GLU A 107
 None
 1.40A 2xytG-3ju1A:
0.0		 2xytG-3ju1A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XYT_H_TC9H1206_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		4 / 7 TYR A 163
TRP A 321
TYR A 110
GLU A 107
 None
 1.35A 2xytH-3ju1A:
undetectable		 2xytH-3ju1A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 MET A 190
ILE A 153
ASN A 173
MET A 175
VAL A 125
 None
 1.21A 3a51D-3ju1A:
undetectable		 3a51D-3ju1A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		4 / 8 ILE A 153
ALA A 201
LEU A 200
LEU A 183
 None
 0.83A 3ozwA-3ju1A:
2.2		 3ozwA-3ju1A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 ILE A 260
GLN A 257
ALA A 254
LEU A 253
LEU A 183
 None
 1.09A 3ozwB-3ju1A:
undetectable		 3ozwB-3ju1A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_B_W9TB502_1
(HEMOLYTIC LECTIN
CEL-III)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		4 / 6 ASP A 165
GLY A 133
LEU A 162
GLU A 109
 None
None
None
FMT  A 403 ( 3.9A)
 1.03A 3w9tB-3ju1A:
undetectable		 3w9tB-3ju1A:
18.36
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 GLU A 109
GLY A 135
TYR A 163
VAL A 327
TYR A 110
 FMT  A 403 ( 3.9A)
None
None
None
None
 1.28A 4ffwB-3ju1A:
3.4		 4ffwB-3ju1A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 SER A 326
TYR A 110
GLN A 306
MET A 155
GLY A 184
 None
 1.37A 4j7xA-3ju1A:
undetectable		 4j7xA-3ju1A:
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.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 SER A 326
TYR A 110
GLN A 306
MET A 155
GLY A 184
 None
 1.36A 4j7xF-3ju1A:
undetectable		 4j7xF-3ju1A:
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 8 GLY A  31
VAL A 123
ALA A 142
MET A 139
ASP A  71
 None
 1.44A 4l9iB-3ju1A:
undetectable		 4l9iB-3ju1A:
22.37
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.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 VAL A 131
SER A  73
GLY A  81
PHE A  78
GLY A  72
 None
 1.37A 4pevB-3ju1A:
3.6		 4pevB-3ju1A:
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 11 VAL A 166
PHE A 105
LEU A  87
GLY A  82
LEU A 162
 None
FMT  A 403 (-2.8A)
None
FMT  A 403 ( 4.3A)
None
 1.34A 4zbqA-3ju1A:
0.9		 4zbqA-3ju1A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 10 GLY A 180
GLY A 184
LEU A 172
LEU A 136
GLU A 157
 None
 1.37A 5hwkA-3ju1A:
undetectable		 5hwkA-3ju1A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 10 GLY A 180
GLY A 184
LEU A 172
LEU A 136
GLU A 157
 None
 1.38A 5hwkB-3ju1A:
undetectable		 5hwkB-3ju1A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		4 / 7 LEU A 315
PHE A 319
GLU A 322
ASN A 173
 None
 0.95A 5n5dA-3ju1A:
undetectable		 5n5dA-3ju1A:
20.00
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.
5UC1_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 GLY A 168
GLY A 167
MET A 155
LEU A 183
MET A 190
 None
 1.08A 5uc1A-3ju1A:
undetectable		 5uc1A-3ju1A:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 GLY A 168
GLY A 167
MET A 155
LEU A 183
MET A 190
 None
 1.06A 5uc1B-3ju1A:
undetectable		 5uc1B-3ju1A:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_C_CVIC301_0
(REGULATORY PROTEIN
TETR)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 ALA A  86
LEU A 343
ARG A 340
VAL A  92
ASP A 334
 None
 1.50A 5vlmC-3ju1A:
undetectable		 5vlmC-3ju1A:
20.61
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 7 GLY A 168
GLY A 167
GLY A 137
GLY A 135
GLY A 134
 None
 0.88A 6ag0A-3ju1A:
undetectable		 6ag0A-3ju1A:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Shewanella
oneidensis) 		5 / 12 ILE A 260
ASP A 194
LEU A 263
THR A 280
LEU A 278
 None
None
None
GOL  A 404 (-4.2A)
None
 1.23A 6b54A-3ju1A:
undetectable		 6b54A-3ju1A:
19.71