SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1mdf'

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.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 7 TYR A 339
THR A 388
ASN A 235
TYR A 207
 None
 1.31A 1afsA-1mdfA:
0.5		 1afsA-1mdfA:
19.37
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.
1AFS_B_TESB325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 7 TYR A 339
THR A 388
ASN A 235
TYR A 207
 None
 1.31A 1afsB-1mdfA:
0.4		 1afsB-1mdfA:
19.37
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.
1BDW_A_DVAA6_0
(GRAMICIDIN A)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ALA A 290
VAL A 285
TRP A 286
 None
 0.88A 1bdwA-1mdfA:
undetectable
1bdwB-1mdfA:
undetectable		 1bdwA-1mdfA:
5.24
1bdwB-1mdfA:
5.24
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 10 VAL A 217
ARG A 341
VAL A 318
VAL A 305
VAL A 329
 None
SO4  A 996 (-4.4A)
None
None
None
 1.14A 1fe2A-1mdfA:
0.0		 1fe2A-1mdfA:
21.14
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.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 VAL A 273
LEU A 227
LEU A 230
THR A 274
TYR A 236
 None
 1.26A 1kw0A-1mdfA:
undetectable		 1kw0A-1mdfA:
21.56
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 7 LEU A  98
LEU A  63
LEU A  70
GLY A  71
 None
 0.82A 1n13D-1mdfA:
undetectable
1n13E-1mdfA:
undetectable		 1n13D-1mdfA:
12.43
1n13E-1mdfA:
7.17
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 ARG A 428
HIS A 398
SER A 402
TYR A 409
 None
 1.15A 1nx9A-1mdfA:
undetectable		 1nx9A-1mdfA:
21.86
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 ARG A 428
HIS A 398
SER A 402
TYR A 409
 None
 1.17A 1nx9B-1mdfA:
undetectable		 1nx9B-1mdfA:
21.86
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 ARG A 428
HIS A 398
SER A 402
TYR A 409
 None
 1.17A 1nx9C-1mdfA:
undetectable		 1nx9C-1mdfA:
21.86
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 ARG A 428
HIS A 398
SER A 402
TYR A 409
 None
 1.16A 1nx9D-1mdfA:
undetectable		 1nx9D-1mdfA:
21.86
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.
1ONI_H_BEZH515_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 6 PHE A  96
ALA A 185
TYR A 207
PRO A 102
 None
 1.15A 1oniH-1mdfA:
undetectable
1oniI-1mdfA:
undetectable		 1oniH-1mdfA:
13.46
1oniI-1mdfA:
13.46
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.
1PBF_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 9 VAL A 455
LEU A 488
LEU A 492
ARG A 495
ALA A 458
 None
 1.22A 1pbfA-1mdfA:
0.0		 1pbfA-1mdfA:
22.48
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.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 VAL A 302
ASP A 343
LEU A 220
TRP A 219
 None
 1.26A 1pk2A-1mdfA:
0.0		 1pk2A-1mdfA:
13.86
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 LEU A 381
ASP A 413
GLY A 331
ILE A 423
VAL A 425
 None
 1.14A 1tmxB-1mdfA:
undetectable		 1tmxB-1mdfA:
20.33
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.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 PHE A 322
ALA A 264
LEU A 282
MET A 287
 None
 1.03A 1x8vA-1mdfA:
undetectable		 1x8vA-1mdfA:
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.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ASP A 420
ILE A 349
VAL A 217
 None
 0.69A 2avvD-1mdfA:
undetectable		 2avvD-1mdfA:
10.88
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 LEU A 247
LEU A 244
GLY A 245
MET A 232
THR A 224
 None
 1.33A 2q7lA-1mdfA:
undetectable		 2q7lA-1mdfA:
18.92
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.
2VCV_B_ASDB1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 6 LEU A  30
ALA A  35
LEU A  56
ALA A  43
 None
 0.89A 2vcvB-1mdfA:
0.8		 2vcvB-1mdfA:
17.03
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 LEU A  30
ALA A  35
LEU A  56
ALA A  43
 None
 0.82A 2vcvF-1mdfA:
undetectable		 2vcvF-1mdfA:
17.03
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 7 LEU A  30
ALA A  35
LEU A  56
ALA A  43
 None
 0.83A 2vcvG-1mdfA:
undetectable		 2vcvG-1mdfA:
17.03
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.
2VCV_K_ASDK1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 6 LEU A  30
ALA A  35
LEU A  56
ALA A  43
 None
 0.84A 2vcvK-1mdfA:
undetectable		 2vcvK-1mdfA:
17.03
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.
2X2I_D_QPSD1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 10 VAL A 425
SER A 311
VAL A 305
GLY A 306
GLN A 353
 None
 1.37A 2x2iD-1mdfA:
0.5		 2x2iD-1mdfA:
19.34
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.
3A35_A_RBFA191_1
(LUMAZINE PROTEIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 VAL A 179
LEU A 176
ASP A  61
ALA A  64
ILE A  72
 None
 1.12A 3a35A-1mdfA:
undetectable		 3a35A-1mdfA:
15.88
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.
3A35_B_RBFB191_1
(LUMAZINE PROTEIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 VAL A 179
LEU A 176
ASP A  61
ALA A  64
ILE A  72
 None
 1.12A 3a35B-1mdfA:
undetectable		 3a35B-1mdfA:
15.88
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.
3A3B_A_RBFA191_1
(LUMAZINE PROTEIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 VAL A 179
LEU A 176
ASP A  61
ALA A  64
ILE A  72
 None
 1.16A 3a3bA-1mdfA:
undetectable		 3a3bA-1mdfA:
15.88
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.
3EM6_A_017A200_1
(PROTEASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 8 ASP A 205
GLY A  24
ASP A 183
GLY A  28
LEU A  30
 None
 1.28A 3em6A-1mdfA:
undetectable		 3em6A-1mdfA:
10.51
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.
3G1U_B_ADNB438_2
(ADENOSYLHOMOCYSTEINA
SE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 THR A  49
GLU A  55
HIS A 170
 None
 0.80A 3g1uB-1mdfA:
undetectable		 3g1uB-1mdfA:
22.30
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 PRO A 513
PHE A 475
ALA A 528
 None
 0.59A 3itaD-1mdfA:
0.0		 3itaD-1mdfA:
21.85
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 GLY A 427
ALA A 441
VAL A 425
GLN A 353
GLU A 377
 None
 0.90A 3nvkI-1mdfA:
undetectable		 3nvkI-1mdfA:
17.71
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.
3S68_A_SAMA228_1
(CATECHOL
O-METHYLTRANSFERASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 VAL A 243
TYR A 226
ALA A  36
PHE A  89
ARG A  32
 None
 1.31A 3s68A-1mdfA:
3.2		 3s68A-1mdfA:
16.09
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.
3SU9_A_ACTA426_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 GLN A 353
GLU A 443
LYS A 309
 None
 1.16A 3su9A-1mdfA:
undetectable		 3su9A-1mdfA:
22.05
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.
3U9F_E_CLME221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 10 PHE A 265
LEU A 303
VAL A 305
PHE A 310
VAL A 318
 None
 1.22A 3u9fE-1mdfA:
0.0		 3u9fE-1mdfA:
18.44
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.
3U9F_E_CLME221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 10 SER A 291
LEU A 303
VAL A 305
PHE A 310
VAL A 318
 None
 1.47A 3u9fE-1mdfA:
0.0		 3u9fE-1mdfA:
18.44
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.
3U9F_H_CLMH221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 SER A 291
LEU A 303
VAL A 305
PHE A 310
VAL A 318
 None
 1.42A 3u9fH-1mdfA:
0.0
3u9fI-1mdfA:
0.0		 3u9fH-1mdfA:
18.44
3u9fI-1mdfA:
18.44
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.
3U9F_R_CLMR221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 10 SER A 291
LEU A 303
VAL A 305
PHE A 310
VAL A 318
 None
 1.43A 3u9fR-1mdfA:
undetectable		 3u9fR-1mdfA:
18.44
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 5 SER A 214
ILE A 275
TYR A 339
GLY A 245
 None
 1.01A 3uboB-1mdfA:
undetectable		 3uboB-1mdfA:
20.92
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.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 6 LEU A  31
PHE A  27
PHE A  93
LEU A  56
 None
 1.05A 3wg7P-1mdfA:
undetectable
3wg7W-1mdfA:
undetectable		 3wg7P-1mdfA:
17.85
3wg7W-1mdfA:
8.79
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.
3ZOS_A_0LIA1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 9 ILE A  85
LEU A  82
ILE A 127
ILE A 128
ILE A 155
 None
 1.05A 3zosA-1mdfA:
undetectable		 3zosA-1mdfA:
20.52
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.
4FP9_A_SAMA401_1
(METHYLTRANSFERASE
NSUN4)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ASP A 205
ARG A  17
ASP A  29
 None
 0.75A 4fp9A-1mdfA:
undetectable		 4fp9A-1mdfA:
21.66
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.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ASP A 205
ARG A  17
ASP A  29
 None
 0.75A 4fp9C-1mdfA:
undetectable		 4fp9C-1mdfA:
21.66
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.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ASP A 205
ARG A  17
ASP A  29
 None
 0.74A 4fp9F-1mdfA:
undetectable		 4fp9F-1mdfA:
21.66
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 LEU A  82
PRO A  83
ARG A  59
 None
 0.43A 4klrB-1mdfA:
undetectable		 4klrB-1mdfA:
22.94
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 ILE A 414
GLU A 426
GLN A 432
ILE A 433
 None
 0.90A 4mj8A-1mdfA:
0.6		 4mj8A-1mdfA:
14.39
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.
4OKT_A_198A1001_1
(ANDROGEN RECEPTOR)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 12 LEU A 247
LEU A 244
GLY A 245
MET A 232
THR A 224
 None
 1.32A 4oktA-1mdfA:
undetectable		 4oktA-1mdfA:
17.80
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.
4Z2E_H_TR6H101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 5 GLY A 331
GLY A 335
GLU A 334
 None
 0.40A 4z2eA-1mdfA:
0.0
4z2eD-1mdfA:
2.0		 4z2eA-1mdfA:
21.25
4z2eD-1mdfA:
18.13
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.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 7 LEU A 303
LEU A 278
ALA A 229
ALA A 264
LEU A 300
 None
 1.46A 4z90F-1mdfA:
undetectable
4z90G-1mdfA:
undetectable
4z90H-1mdfA:
undetectable
4z90J-1mdfA:
undetectable		 4z90F-1mdfA:
19.64
4z90G-1mdfA:
19.64
4z90H-1mdfA:
19.64
4z90J-1mdfA:
19.64
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.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 5 ALA A 482
HIS A 452
ALA A 454
GLU A 487
 None
 1.40A 5a06C-1mdfA:
3.2
5a06D-1mdfA:
3.4		 5a06C-1mdfA:
21.01
5a06D-1mdfA:
21.01
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.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ILE A 200
MET A   1
ASP A 206
 None
 0.75A 5h2uA-1mdfA:
undetectable		 5h2uA-1mdfA:
19.67
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.
5M10_A_NCAA603_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 5 LEU A 211
ARG A 202
PHE A 186
LEU A 238
 None
 1.32A 5m10A-1mdfA:
undetectable		 5m10A-1mdfA:
21.60
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.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 THR A  26
PRO A 102
ARG A  77
 None
None
SO4  A 999 (-3.0A)
 0.57A 5nd7B-1mdfA:
undetectable		 5nd7B-1mdfA:
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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ARG A  62
PHE A  96
LEU A 176
 None
 0.72A 5veuA-1mdfA:
undetectable		 5veuA-1mdfA:
23.33
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_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 8 GLN A 327
GLY A 354
ILE A 348
ASP A 420
 None
 0.90A 5vlmH-1mdfA:
0.0		 5vlmH-1mdfA:
17.33
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.
5WM2_A_SALA601_1
(SALICYLATE-AMP
LIGASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		5 / 9 HIS A 234
ASN A 235
GLY A 307
VAL A 329
GLY A 331
 None
 0.49A 5wm2A-1mdfA:
61.9		 5wm2A-1mdfA:
10.08
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 6 LEU A  31
PHE A  27
PHE A  93
LEU A  56
 None
 1.06A 5x19P-1mdfA:
undetectable		 5x19P-1mdfA:
17.85
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 5 LEU A  31
PHE A  27
PHE A  93
LEU A  56
 None
 1.09A 5x1bP-1mdfA:
0.0		 5x1bP-1mdfA:
17.85
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 7 LEU A  31
PHE A  27
PHE A  93
LEU A  56
 None
 1.03A 5x1fP-1mdfA:
undetectable
5x1fW-1mdfA:
0.0		 5x1fP-1mdfA:
17.85
5x1fW-1mdfA:
8.79
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.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		4 / 5 PHE A  67
VAL A 179
PRO A 102
VAL A  91
 None
 1.15A 6ekzA-1mdfA:
undetectable		 6ekzA-1mdfA:
14.16
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.
6FGD_A_ACTA821_0
(GEPHYRIN)		 1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Bacillus
subtilis) 		3 / 3 ARG A  97
PHE A  96
GLY A  28
 None
 0.76A 6fgdA-1mdfA:
3.3		 6fgdA-1mdfA:
23.27