SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2dfu'

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.
1AKD_A_CAMA420_0
(CYTOCHROME P450CAM)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		6 / 11 THR A 254
VAL A 144
GLY A 115
THR A 187
VAL A 189
ASP A 240
 None
 1.41A 1akdA-2dfuA:
undetectable		 1akdA-2dfuA:
21.16
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.
1IE4_A_T44A128_1
(TRANSTHYRETIN)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 10 LEU A 111
GLU A 260
LEU A 236
LEU A 255
GLU A 100
 None
 1.33A 1ie4A-2dfuA:
1.9
1ie4C-2dfuA:
undetectable		 1ie4A-2dfuA:
20.68
1ie4C-2dfuA:
20.68
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.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		6 / 11 THR A 254
VAL A 144
GLY A 115
THR A 187
VAL A 189
ASP A 240
 None
 1.39A 1phgA-2dfuA:
undetectable		 1phgA-2dfuA:
21.16
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.
2A1N_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 11 THR A 254
VAL A 144
GLY A 115
THR A 187
VAL A 189
 None
 1.29A 2a1nA-2dfuA:
undetectable		 2a1nA-2dfuA:
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.
2A1N_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 9 THR A 254
VAL A 144
THR A 187
VAL A 189
ASP A 240
 None
 1.37A 2a1nB-2dfuA:
0.0		 2a1nB-2dfuA:
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 12 LEU A 236
GLU A 116
TYR A 113
ASP A 145
ALA A  87
 None
 1.09A 2br4E-2dfuA:
undetectable		 2br4E-2dfuA:
20.15
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 8 ASP A 145
LYS A 162
GLY A 228
GLU A 116
 None
 0.88A 2ys6A-2dfuA:
undetectable		 2ys6A-2dfuA:
20.59
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 7 VAL A 144
THR A 187
VAL A 189
ASP A 240
 None
 1.02A 2zaxA-2dfuA:
undetectable		 2zaxA-2dfuA:
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.
2ZUJ_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 8 LEU A 252
VAL A 224
LEU A 226
VAL A 120
 None
 0.86A 2zujA-2dfuA:
undetectable		 2zujA-2dfuA:
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.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 7 VAL A 144
THR A 187
VAL A 189
ASP A 240
 None
 1.01A 3fwgB-2dfuA:
undetectable		 3fwgB-2dfuA:
21.24
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.
3HJO_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 8 VAL A 137
VAL A 224
VAL A 249
GLY A 139
 None
 0.87A 3hjoB-2dfuA:
undetectable		 3hjoB-2dfuA:
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.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 12 GLU A 110
ASP A 150
ASP A 240
ILE A 146
THR A 108
 None
 1.40A 3lpsA-2dfuA:
undetectable		 3lpsA-2dfuA:
23.02
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.
3O14_A_NIOA300_1
(ANTI-ECFSIGMA
FACTOR, CHRR)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 7 ALA A 133
VAL A 119
VAL A 137
LEU A 134
 None
 0.76A 3o14A-2dfuA:
undetectable		 3o14A-2dfuA:
22.55
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 6 LEU A   4
PRO A  44
LEU A 252
PRO A  92
 None
 1.12A 3q1eA-2dfuA:
2.0
3q1eC-2dfuA:
0.0		 3q1eA-2dfuA:
16.67
3q1eC-2dfuA:
16.67
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 6 LEU A 252
PRO A  92
LEU A   4
PRO A  44
 None
 1.08A 3q1eA-2dfuA:
2.0
3q1eC-2dfuA:
0.0		 3q1eA-2dfuA:
16.67
3q1eC-2dfuA:
16.67
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.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 12 ILE A 256
GLY A 115
THR A 187
VAL A 189
ASP A 240
 None
 0.99A 4c9lA-2dfuA:
undetectable		 4c9lA-2dfuA:
22.65
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.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 12 ILE A 256
GLY A 115
THR A 187
VAL A 189
ASP A 240
 None
 1.02A 4c9lB-2dfuA:
undetectable		 4c9lB-2dfuA:
22.65
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.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 12 ILE A 256
GLY A 115
THR A 187
VAL A 189
ASP A 240
 None
 0.99A 4c9oA-2dfuA:
undetectable		 4c9oA-2dfuA:
22.65
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.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 12 ILE A 256
GLY A 115
THR A 187
VAL A 189
ASP A 240
 None
 1.00A 4c9oB-2dfuA:
undetectable		 4c9oB-2dfuA:
22.65
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 11 PHE A 167
ALA A  85
ALA A  87
THR A 254
LEU A 111
 None
 1.15A 4j6cA-2dfuA:
undetectable		 4j6cA-2dfuA:
21.43
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 12 LEU A 168
PRO A  83
LEU A  80
LEU A  78
GLY A  54
 None
 1.06A 4l9qB-2dfuA:
undetectable		 4l9qB-2dfuA:
18.17
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 10 GLY A 250
VAL A 246
GLU A 247
VAL A 249
LEU A 178
 None
 1.21A 4yb6C-2dfuA:
undetectable
4yb6F-2dfuA:
undetectable		 4yb6C-2dfuA:
22.58
4yb6F-2dfuA:
22.58
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.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 10 LEU A 178
GLY A 250
VAL A 246
GLU A 247
VAL A 249
 None
 1.21A 4yb6A-2dfuA:
undetectable
4yb6D-2dfuA:
undetectable		 4yb6A-2dfuA:
22.58
4yb6D-2dfuA:
22.58
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.
4YB6_E_HISE302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 10 LEU A 178
GLY A 250
VAL A 246
GLU A 247
VAL A 249
 None
 1.20A 4yb6D-2dfuA:
undetectable
4yb6E-2dfuA:
undetectable		 4yb6D-2dfuA:
22.58
4yb6E-2dfuA:
22.58
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 6 ASP A  35
THR A  30
PRO A  29
THR A  22
 None
 1.05A 4yoaA-2dfuA:
undetectable		 4yoaA-2dfuA:
16.03
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.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 9 THR A 254
VAL A 144
GLY A 115
THR A 187
VAL A 189
 None
 1.21A 5cp4A-2dfuA:
undetectable		 5cp4A-2dfuA:
21.16
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.
5E4D_B_BEZB202_0
(HYDROXYNITRILE LYASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		4 / 7 VAL A 246
THR A 183
VAL A 206
THR A 227
 None
 1.04A 5e4dA-2dfuA:
undetectable
5e4dB-2dfuA:
undetectable		 5e4dA-2dfuA:
20.74
5e4dB-2dfuA:
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.
6EF6_A_BEZA401_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Thermus
thermophilus) 		5 / 9 LEU A 111
ILE A 256
PRO A 169
VAL A 102
ILE A 146
 None
 1.21A 6ef6A-2dfuA:
undetectable		 6ef6A-2dfuA:
21.53