SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DFP'


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.
1F86_B_T44B528_1
(TRANSTHYRETIN
THR119MET VARIANT)		 1ci9 PROTEIN
(CARBOXYLESTERASE)
(Burkholderia
gladioli) 		4 / 4 LYS A  78
LEU A 185
ALA A  82
LEU A 188
 DFP  A 401 ( 4.2A)
None
None
None
 1.37A 1f86B-1ci9A:
0.0		 1f86B-1ci9A:
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.
2Y6R_C_CTCC1385_0
(TETX2 PROTEIN)		 2gzs IROE PROTEIN
(Escherichia
coli) 		5 / 12 ARG A 130
PHE A 291
HIS A 287
GLY A 288
GLY A 192
 DFP  A1189 (-2.8A)
None
DFP  A1189 (-3.8A)
None
None
 1.44A 2y6rC-2gzsA:
undetectable		 2y6rC-2gzsA:
22.67
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.
2Y7K_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 4v08 UL26
(Suid
alphaherpesvirus
1) 		5 / 12 THR A 140
ILE A 141
GLY A 139
GLY A 135
ILE A 134
 None
None
None
DFP  A 300 (-3.6A)
None
 1.34A 2y7kC-4v08A:
undetectable		 2y7kC-4v08A:
24.44
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)		 2gzs IROE PROTEIN
(Escherichia
coli) 		5 / 12 PRO A 136
GLY A 216
SER A 157
GLY A 192
GLY A 191
 None
DFP  A1189 (-3.6A)
None
None
None
 0.71A 3axzA-2gzsA:
undetectable		 3axzA-2gzsA:
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.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 3vta CUCUMISIN
(Cucumis
melo) 		5 / 6 SER A 527
SER A 304
VAL A 325
GLY A 523
GLY A 496
 None
DFP  A 801 (-3.4A)
None
DFP  A 801 (-3.1A)
None
 1.43A 3rxfA-3vtaA:
undetectable		 3rxfA-3vtaA:
17.64
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.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 1ci9 PROTEIN
(CARBOXYLESTERASE)
(Burkholderia
gladioli) 		5 / 12 LEU A 135
VAL A 247
GLY A 353
PRO A 250
VAL A 257
 DFP  A 401 (-4.3A)
None
None
None
None
 0.90A 3so9B-1ci9A:
undetectable		 3so9B-1ci9A:
13.97
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.
3UJ6_A_SAMA300_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1at3 HERPES SIMPLEX VIRUS
TYPE II PROTEASE
(Human
alphaherpesvirus
2) 		4 / 4 SER A 129
ASP A  34
ASP A  31
ALA A  28
 DFP  A 300 ( 1.5A)
None
None
None
 1.36A 3uj6A-1at3A:
undetectable		 3uj6A-1at3A:
21.20
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.
4A99_A_MIYA391_1
(TETX2 PROTEIN)		 2gzs IROE PROTEIN
(Escherichia
coli) 		5 / 10 ARG A 130
PHE A 291
HIS A 287
GLY A 288
GLY A 192
 DFP  A1189 (-2.8A)
None
DFP  A1189 (-3.8A)
None
None
 1.48A 4a99A-2gzsA:
1.0		 4a99A-2gzsA:
22.67
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.
4A99_B_MIYB391_1
(TETX2 PROTEIN)		 2gzs IROE PROTEIN
(Escherichia
coli) 		5 / 11 ARG A 130
PHE A 291
HIS A 287
GLY A 288
GLY A 192
 DFP  A1189 (-2.8A)
None
DFP  A1189 (-3.8A)
None
None
 1.50A 4a99B-2gzsA:
undetectable		 4a99B-2gzsA:
22.67
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.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1at3 HERPES SIMPLEX VIRUS
TYPE II PROTEASE
(Human
alphaherpesvirus
2) 		5 / 12 SER A 129
VAL A 128
ILE A  57
ASN A  58
PHE A  82
 DFP  A 300 ( 1.5A)
None
None
None
None
 1.30A 4c49A-1at3A:
undetectable		 4c49A-1at3A:
20.53
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.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1at3 HERPES SIMPLEX VIRUS
TYPE II PROTEASE
(Human
alphaherpesvirus
2) 		5 / 12 SER A 129
VAL A 128
ILE A  57
ASN A  58
PHE A  82
 DFP  A 300 ( 1.5A)
None
None
None
None
 1.30A 4c49B-1at3A:
0.0		 4c49B-1at3A:
20.53
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.
4DT8_B_ADNB401_1
(APH(2'')-ID)		 1ci9 PROTEIN
(CARBOXYLESTERASE)
(Burkholderia
gladioli) 		5 / 10 SER A 272
GLY A 274
ALA A 275
ILE A 148
LEU A 166
 None
None
DFP  A 401 (-3.2A)
None
None
 1.05A 4dt8B-1ci9A:
undetectable		 4dt8B-1ci9A:
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.
4HB8_A_DXCA75_0
(PPCA)		 1ci9 PROTEIN
(CARBOXYLESTERASE)
(Burkholderia
gladioli) 		4 / 8 LEU A 367
LYS A  78
ILE A  80
GLY A 350
 None
DFP  A 401 ( 4.2A)
None
DFP  A 401 (-3.3A)
 0.83A 4hb8A-1ci9A:
undetectable		 4hb8A-1ci9A:
14.57
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1at3 HERPES SIMPLEX VIRUS
TYPE II PROTEASE
(Human
alphaherpesvirus
2) 		3 / 3 LEU A  55
PRO A  56
ARG A 157
 None
None
DFP  A 300 ( 3.9A)
 0.57A 4klrB-1at3A:
undetectable		 4klrB-1at3A:
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2gzs IROE PROTEIN
(Escherichia
coli) 		5 / 12 PRO A 136
GLY A 216
SER A 157
GLY A 192
GLY A 191
 None
DFP  A1189 (-3.6A)
None
None
None
 0.67A 4yvgA-2gzsA:
2.2		 4yvgA-2gzsA:
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2gzs IROE PROTEIN
(Escherichia
coli) 		4 / 8 PHE A 282
SER A 212
HIS A 188
LEU A 285
 None
None
DFP  A1189 ( 4.8A)
None
 0.94A 5dzkd-2gzsA:
undetectable
5dzkr-2gzsA:
undetectable		 5dzkd-2gzsA:
20.36
5dzkr-2gzsA:
1.09
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.
5DZK_S_BEZS801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2gzs IROE PROTEIN
(Escherichia
coli) 		4 / 6 PHE A 282
SER A 212
HIS A 188
LEU A 285
 None
None
DFP  A1189 ( 4.8A)
None
 1.02A 5dzke-2gzsA:
undetectable
5dzks-2gzsA:
undetectable		 5dzke-2gzsA:
20.36
5dzks-2gzsA:
1.09
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2gzs IROE PROTEIN
(Escherichia
coli) 		3 / 3 LEU A 145
TYR A 190
SER A 154
 None
DFP  A1189 (-3.5A)
None
 0.86A 5iktA-2gzsA:
undetectable		 5iktA-2gzsA:
18.57
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.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3vta CUCUMISIN
(Cucumis
melo) 		3 / 3 THR A 524
SER A 304
ASP A 140
 DFP  A 801 (-4.6A)
DFP  A 801 (-3.4A)
None
 0.68A 5kvaA-3vtaA:
2.0		 5kvaA-3vtaA:
18.20
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.
5KVA_B_SAMB301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3vta CUCUMISIN
(Cucumis
melo) 		3 / 3 THR A 524
SER A 304
ASP A 140
 DFP  A 801 (-4.6A)
DFP  A 801 (-3.4A)
None
 0.68A 5kvaB-3vtaA:
2.0		 5kvaB-3vtaA:
18.20
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.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2gzs IROE PROTEIN
(Escherichia
coli) 		5 / 12 PRO A 136
GLY A 216
SER A 157
GLY A 192
GLY A 191
 None
DFP  A1189 (-3.6A)
None
None
None
 0.70A 5wyqA-2gzsA:
undetectable		 5wyqA-2gzsA:
21.51
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2gzs IROE PROTEIN
(Escherichia
coli) 		5 / 12 PRO A 136
GLY A 216
SER A 157
GLY A 192
GLY A 191
 None
DFP  A1189 (-3.6A)
None
None
None
 0.81A 5zhmB-2gzsA:
2.7		 5zhmB-2gzsA:
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.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3vta CUCUMISIN
(Cucumis
melo) 		5 / 12 PRO A 490
GLY A 306
THR A 314
THR A 315
ILE A 492
 None
DFP  A 801 ( 4.5A)
None
None
None
 0.90A 6emuC-3vtaA:
2.2		 6emuC-3vtaA:
14.63
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 1ci9 PROTEIN
(CARBOXYLESTERASE)
(Burkholderia
gladioli) 		5 / 11 ASP A 186
SER A 272
VAL A 351
GLY A 353
ALA A  38
 None
None
DFP  A 401 (-3.2A)
None
None
 1.29A 6hu9A-1ci9A:
0.0
6hu9E-1ci9A:
undetectable
6hu9I-1ci9A:
0.0		 6hu9A-1ci9A:
22.00
6hu9E-1ci9A:
18.11
6hu9I-1ci9A:
10.05
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 1ci9 PROTEIN
(CARBOXYLESTERASE)
(Burkholderia
gladioli) 		4 / 7 GLY A 151
VAL A 264
SER A  75
LYS A  78
 None
None
DFP  A 401 (-1.6A)
DFP  A 401 ( 4.2A)
 1.00A 6hu9S-1ci9A:
0.0
6hu9q-1ci9A:
undetectable		 6hu9S-1ci9A:
10.67
6hu9q-1ci9A:
17.80