SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ded'

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.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 SER A  13
THR A  14
PHE A 425
GLY A 502
 None
 1.10A 1icuA-1dedA:
0.0
1icuB-1dedA:
0.0		 1icuA-1dedA:
16.14
1icuB-1dedA:
16.14
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.
1ICU_B_NIOB219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 PHE A 425
GLY A 502
SER A  13
THR A  14
 None
 1.09A 1icuA-1dedA:
0.0
1icuB-1dedA:
0.0		 1icuA-1dedA:
16.14
1icuB-1dedA:
16.14
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.
1ICU_C_NIOC225_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 SER A  13
THR A  14
PHE A 425
GLY A 502
 None
 1.11A 1icuC-1dedA:
0.0
1icuD-1dedA:
0.0		 1icuC-1dedA:
16.14
1icuD-1dedA:
16.14
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.
1ICU_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 5 PHE A 425
GLY A 502
SER A  13
THR A  14
 None
 1.11A 1icuC-1dedA:
0.0
1icuD-1dedA:
0.0		 1icuC-1dedA:
16.14
1icuD-1dedA:
16.14
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.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 5 PHE A 425
GLY A 502
SER A  13
THR A  14
 None
 1.11A 1icvA-1dedA:
0.0
1icvB-1dedA:
0.0		 1icvA-1dedA:
16.14
1icvB-1dedA:
16.14
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.
1KQB_A_BEZA524_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 SER A  13
THR A  14
PHE A 425
GLY A 502
 None
 1.12A 1kqbA-1dedA:
0.0
1kqbB-1dedA:
0.0		 1kqbA-1dedA:
16.72
1kqbB-1dedA:
16.72
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.
1KQB_C_BEZC522_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 SER A  13
THR A  14
PHE A 425
GLY A 502
 None
 1.08A 1kqbC-1dedA:
0.0
1kqbD-1dedA:
0.0		 1kqbC-1dedA:
16.72
1kqbD-1dedA:
16.72
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.
1KQB_D_BEZD523_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 PHE A 425
GLY A 502
SER A  13
THR A  14
 None
 1.08A 1kqbC-1dedA:
0.0
1kqbD-1dedA:
0.0		 1kqbC-1dedA:
16.72
1kqbD-1dedA:
16.72
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 TYR A 100
HIS A 140
ARG A 227
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-2.9A)
QPS  A1001 ( 4.3A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.79A 1mxdA-1dedA:
30.7		 1mxdA-1dedA:
23.17
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.
1T88_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 7 PHE A 531
VAL A 504
GLY A 505
VAL A 513
 None
 0.95A 1t88A-1dedA:
undetectable		 1t88A-1dedA:
20.12
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.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 ALA A 644
GLN A 586
VAL A 589
PHE A 591
LEU A 606
 None
 1.05A 1uduB-1dedA:
undetectable		 1uduB-1dedA:
18.67
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.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 5 ILE A 358
LEU A 342
ALA A 387
GLU A 363
 None
 0.91A 1xvaA-1dedA:
undetectable
1xvaB-1dedA:
undetectable		 1xvaA-1dedA:
18.76
1xvaB-1dedA:
18.76
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 8 PHE A 531
VAL A 504
GLY A 505
VAL A 513
 None
 0.90A 2a1oA-1dedA:
undetectable		 2a1oA-1dedA:
20.09
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 7 GLY A 559
TYR A 561
GLU A 612
SER A 611
 None
 1.09A 2ackA-1dedA:
undetectable		 2ackA-1dedA:
21.28
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.
2BXE_B_1FLB2001_1
(SERUM ALBUMIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 ILE A 434
PHE A 332
VAL A 292
LEU A 303
SER A 352
 None
 1.24A 2bxeB-1dedA:
0.0		 2bxeB-1dedA:
20.36
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.
2PNJ_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 LEU A 613
MET A 625
ILE A 648
VAL A 630
VAL A 680
 None
 0.95A 2pnjA-1dedA:
undetectable		 2pnjA-1dedA:
18.97
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.
2QEI_A_CXXA802_1
(TRANSPORTER)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 SER A 310
ARG A 284
PHE A 285
PHE A 348
 None
 1.22A 2qeiA-1dedA:
0.0		 2qeiA-1dedA:
21.97
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 8 PHE A 348
ILE A 419
PHE A 293
GLY A 302
 None
 0.97A 2qwxA-1dedA:
undetectable
2qwxB-1dedA:
undetectable		 2qwxA-1dedA:
17.69
2qwxB-1dedA:
17.69
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.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 8 ALA A 387
LEU A 346
LEU A 350
VAL A  16
ILE A  17
 None
 1.21A 2uxpA-1dedA:
0.3		 2uxpA-1dedA:
15.27
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.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 GLY A  68
ALA A 387
LEU A 350
VAL A  16
ILE A  71
 None
 1.37A 3adsB-1dedA:
0.0		 3adsB-1dedA:
18.78
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.84A 3aicA-1dedA:
7.8		 3aicA-1dedA:
23.55
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.86A 3aicB-1dedA:
9.6		 3aicB-1dedA:
23.55
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		6 / 12 ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.76A 3aicC-1dedA:
3.9		 3aicC-1dedA:
23.55
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		6 / 12 ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
TYR A 100
 QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-2.9A)
 0.72A 3aicC-1dedA:
3.9		 3aicC-1dedA:
23.55
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.89A 3aicD-1dedA:
7.5		 3aicD-1dedA:
23.55
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.89A 3aicE-1dedA:
5.2		 3aicE-1dedA:
23.55
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.88A 3aicF-1dedA:
5.9		 3aicF-1dedA:
23.55
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.88A 3aicG-1dedA:
4.2		 3aicG-1dedA:
23.55
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.92A 3aicH-1dedA:
3.5		 3aicH-1dedA:
23.55
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.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		3 / 3 THR A 516
SER A   7
LYS A 131
 None
 0.92A 3aocC-1dedA:
0.0		 3aocC-1dedA:
21.18
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.
3ID5_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 11 TYR A 406
GLY A 519
THR A  14
ASP A 518
ILE A 517
 None
 1.31A 3id5B-1dedA:
0.0		 3id5B-1dedA:
15.10
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.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 11 TYR A 406
GLY A 519
THR A  14
ASP A 518
ILE A 517
 None
 1.31A 3id5F-1dedA:
0.0		 3id5F-1dedA:
15.10
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 HIS A  98
PRO A 143
LEU A 197
ASP A 229
 QPS  A1001 ( 2.9A)
None
QPS  A1001 (-3.7A)
QPS  A1001 (-2.7A)
 1.26A 3oi8A-1dedA:
undetectable		 3oi8A-1dedA:
11.28
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.
3PGY_B_GLYB509_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 4 PHE A 105
THR A 141
LEU A 211
TYR A 210
 None
 1.41A 3pgyB-1dedA:
0.6		 3pgyB-1dedA:
22.61
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 8 VAL A 207
ASP A 208
LEU A 211
ASP A 639
 None
 0.82A 3roxA-1dedA:
undetectable		 3roxA-1dedA:
16.42
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.
3T3C_A_017A201_2
(HIV-1 PROTEASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 ASP A 319
VAL A 355
GLY A 225
ALA A 357
VAL A 321
 None
 1.03A 3t3cB-1dedA:
undetectable		 3t3cB-1dedA:
10.94
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 5 PHE A 293
ALA A 289
THR A 349
LEU A 307
 None
 1.17A 3t3zC-1dedA:
undetectable		 3t3zC-1dedA:
21.27
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 GLY A  99
PRO A 143
ALA A 198
GLY A 155
ASN A 193
 None
 1.30A 3v3oB-1dedA:
0.0		 3v3oB-1dedA:
19.33
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.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 7 ARG A 103
ALA A 102
ILE A  83
GLY A 155
 None
 1.00A 3v4tH-1dedA:
undetectable		 3v4tH-1dedA:
22.06
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 7 ARG A 377
LEU A 378
ARG A  24
GLY A  56
 None
 0.86A 4cp3A-1dedA:
0.0
4cp3B-1dedA:
0.0		 4cp3A-1dedA:
10.96
4cp3B-1dedA:
10.96
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.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 8 ASP A 577
ASP A 562
ASN A 318
GLU A 311
 None
 1.11A 4feuD-1dedA:
2.1		 4feuD-1dedA:
16.91
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 ASP A   3
ASP A 495
ASP A 546
GLU A 545
 None
 1.34A 4gkhJ-1dedA:
0.0		 4gkhJ-1dedA:
16.91
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.
4MM9_A_FVXA603_1
(TRANSPORTER)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 11 ASP A 319
GLY A 505
SER A 279
GLY A 277
ASP A 577
 None
 1.29A 4mm9A-1dedA:
0.0		 4mm9A-1dedA:
21.36
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.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		3 / 3 ALA A 357
GLN A 287
GLY A 261
 None
 0.51A 4odoC-1dedA:
0.0		 4odoC-1dedA:
12.01
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.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 8 PHE A 348
ILE A 419
PHE A 293
GLY A 302
 None
 0.99A 4qogA-1dedA:
undetectable
4qogB-1dedA:
undetectable		 4qogA-1dedA:
17.69
4qogB-1dedA:
17.69
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.
4QYQ_C_3CJC607_1
(LACTOPEROXIDASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 GLN A 320
ASP A 282
ARG A 353
ARG A 284
 None
 1.34A 4qyqC-1dedA:
0.0		 4qyqC-1dedA:
22.36
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.
4XT7_A_TOPA302_1
(RV2671)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 11 ILE A  83
THR A 141
SER A 142
GLY A 155
GLU A  81
 None
 1.37A 4xt7A-1dedA:
0.9		 4xt7A-1dedA:
18.64
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 0.99A 4yb6A-1dedA:
0.0
4yb6E-1dedA:
0.0		 4yb6A-1dedA:
16.69
4yb6E-1dedA:
16.69
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.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 0.99A 4yb6B-1dedA:
0.0
4yb6C-1dedA:
0.0		 4yb6B-1dedA:
16.69
4yb6C-1dedA:
16.69
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 0.96A 4yb6C-1dedA:
0.0
4yb6F-1dedA:
0.0		 4yb6C-1dedA:
16.69
4yb6F-1dedA:
16.69
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.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 0.97A 4yb6A-1dedA:
0.0
4yb6D-1dedA:
0.0		 4yb6A-1dedA:
16.69
4yb6D-1dedA:
16.69
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.
4YB6_E_HISE302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 0.95A 4yb6D-1dedA:
0.0
4yb6E-1dedA:
0.0		 4yb6D-1dedA:
16.69
4yb6E-1dedA:
16.69
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.
4YB6_F_HISF302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 0.99A 4yb6B-1dedA:
0.0
4yb6F-1dedA:
0.0		 4yb6B-1dedA:
16.69
4yb6F-1dedA:
16.69
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.
5AJQ_A_DB8A800_2
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 4 VAL A 228
ILE A 215
ASN A 247
VAL A 252
 None
 1.02A 5ajqA-1dedA:
0.0		 5ajqA-1dedA:
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.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 11 SER A 641
THR A 588
THR A 245
ALA A 244
ASP A 585
 None
 1.07A 5bxnV-1dedA:
undetectable
5bxnW-1dedA:
undetectable		 5bxnV-1dedA:
16.67
5bxnW-1dedA:
14.80
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.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 SER A 641
THR A 588
THR A 245
ALA A 244
ASP A 585
 None
 1.02A 5d0xH-1dedA:
undetectable
5d0xI-1dedA:
undetectable		 5d0xH-1dedA:
16.81
5d0xI-1dedA:
14.80
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.
5H3A_A_D16A401_1
(ORF70)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 7 PHE A 136
ILE A 215
ASP A 224
GLY A 225
 None
 0.84A 5h3aA-1dedA:
0.0		 5h3aA-1dedA:
15.12
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.
5HPW_C_3CJC609_1
(LACTOPEROXIDASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 GLN A 320
ASP A 282
ARG A 353
ARG A 284
 None
 1.34A 5hpwC-1dedA:
0.0		 5hpwC-1dedA:
22.36
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.
5HWA_A_GCSA302_1
(CHITOSANASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 7 ARG A 353
THR A 409
GLY A 309
TYR A 314
 None
 1.06A 5hwaA-1dedA:
0.0		 5hwaA-1dedA:
17.35
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.
5IEO_A_VDYA206_1
(CDL2.3A)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 LEU A 606
PHE A 652
PHE A 650
PHE A 670
ALA A 678
 None
 1.27A 5ieoA-1dedA:
2.7		 5ieoA-1dedA:
11.94
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 ASP A  63
ILE A  57
TYR A  18
TYR A 388
 None
 1.11A 5igyA-1dedA:
0.0		 5igyA-1dedA:
19.14
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 ASP A  63
ILE A  57
TYR A  18
TYR A 388
 None
 1.23A 5ih0A-1dedA:
0.0		 5ih0A-1dedA:
18.90
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.
5JMN_A_FUAA1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 5 ILE A  57
ILE A 130
HIS A 126
VAL A 132
 None
 0.86A 5jmnA-1dedA:
0.0		 5jmnA-1dedA:
21.10
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.
5MZR_A_PFLA412_1
(PROTON-GATED ION
CHANNEL)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 TYR A  65
TYR A  18
ILE A  20
ILE A  74
ILE A  61
 None
 1.13A 5mzrA-1dedA:
0.0		 5mzrA-1dedA:
8.25
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.
5MZR_C_PFLC409_1
(PROTON-GATED ION
CHANNEL)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 10 TYR A  65
TYR A  18
ILE A  20
ILE A  74
ILE A  61
 None
 1.11A 5mzrC-1dedA:
0.0		 5mzrC-1dedA:
8.25
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 ASP A 639
LEU A 157
HIS A 202
SER A 241
GLN A 172
 None
 1.42A 5syfB-1dedA:
undetectable		 5syfB-1dedA:
20.03
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.
5UUN_A_ACTA312_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		3 / 3 ILE A 541
VAL A 551
PRO A 554
 None
 0.69A 5uunA-1dedA:
0.0		 5uunA-1dedA:
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 TYR A 100
HIS A 140
LEU A 194
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-2.9A)
QPS  A1001 ( 4.3A)
QPS  A1001 (-3.2A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.93A 6ag0A-1dedA:
25.9		 6ag0A-1dedA:
9.06
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_ACRC608_0
(ALPHA-AMYLASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 LEU A 194
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.87A 6ag0C-1dedA:
26.0		 6ag0C-1dedA:
9.06
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.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 VAL A 231
GLY A 225
VAL A 223
PHE A 118
PRO A  79
 None
 1.00A 6brdC-1dedA:
undetectable		 6brdC-1dedA:
8.10
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 8 ILE A 246
THR A 245
GLU A 612
SER A 641
 None
 1.06A 6c06C-1dedA:
0.0		 6c06C-1dedA:
undetectable
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 8 ILE A 463
THR A 386
GLN A 389
THR A 383
 None
 1.14A 6c06C-1dedA:
0.0		 6c06C-1dedA:
undetectable
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.
6CDU_B_EY4B500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 VAL A 132
PRO A  79
ALA A 125
THR A 124
 None
 1.04A 6cduB-1dedA:
0.0
6cduC-1dedA:
0.0		 6cduB-1dedA:
20.85
6cduC-1dedA:
20.85
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 THR A 409
LEU A 307
MET A 306
ARG A 284
ASP A 282
 None
 1.25A 6ie8A-1dedA:
0.0		 6ie8A-1dedA:
15.04
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 7 ASP A 282
ARG A 284
TYR A 269
ASP A 313
 None
 1.31A 6mn5B-1dedA:
0.0		 6mn5B-1dedA:
8.55