SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1kcl'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		11 / 12 HIS A  98
TYR A 100
LEU A 194
TYR A 195
LEU A 197
ASP A 229
ALA A 230
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
None
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.47A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		9 / 12 HIS A  98
TYR A 100
TYR A 195
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.69A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 TYR A 100
LEU A 194
ASP A 229
HIS A 327
ASP A 371
ARG A 375
 GLC  A1695 ( 3.1A)
None
GLC  A1695 (-3.2A)
GLC  A1695 (-4.1A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 1.28A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 TYR A 100
LEU A 197
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
 GLC  A1695 ( 3.1A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
 1.34A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		8 / 9 TYR A  97
TRP A 101
HIS A 140
ASP A 196
ARG A 227
LYS A 232
TRP A 258
PHE A 259
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
None
GLC  A1695 ( 4.1A)
GLC  A1693 ( 4.8A)
None
GLC  A1693 (-3.7A)
 0.40A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 TRP A 616
LYS A 651
GLY A 665
ASN A 667
 GLC  A1699 (-3.8A)
GLC  A1698 (-2.5A)
None
GLC  A1699 (-2.8A)
 1.01A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 6 TRP A 616
LYS A 651
TRP A 662
GLY A 664
ASN A 667
PRO A 686
 GLC  A1699 (-3.8A)
GLC  A1698 (-2.5A)
GLC  A1698 ( 3.8A)
GLC  A1698 ( 4.8A)
GLC  A1699 (-2.8A)
None
 0.45A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		12 / 12 HIS A  98
TYR A 100
TYR A 195
LEU A 197
ARG A 227
ASP A 229
ALA A 230
GLU A 257
PHE A 259
HIS A 327
ASP A 328
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1693 (-3.7A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-2.7A)
 0.53A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 9 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
ASP A 371
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
BGC  A1696 (-3.5A)
 0.33A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 9 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
GLC  A1693 ( 4.8A)
 0.47A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 464
LEU A 463
GLY A 462
ALA A 483
LEU A 482
 None
 1.10A 1gs4A-1kclA:
undetectable		 1gs4A-1kclA:
15.99
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 TYR A 100
HIS A 140
ARG A 227
ASP A 229
GLU A 257
HIS A 327
ASP A 328
 GLC  A1695 ( 3.1A)
GLC  A1695 (-3.8A)
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.49A 1mxdA-1kclA:
30.9		 1mxdA-1kclA:
22.29
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.
1N4F_A_ASRA140_0
(LYSOZYME C)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		3 / 3 ASN A 120
ALA A 124
ASN A  62
 None
 0.70A 1n4fA-1kclA:
0.0		 1n4fA-1kclA:
12.75
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.08A 1nx9A-1kclA:
undetectable		 1nx9A-1kclA:
21.41
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.08A 1nx9B-1kclA:
undetectable		 1nx9B-1kclA:
21.41
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.09A 1nx9C-1kclA:
undetectable		 1nx9C-1kclA:
21.41
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.09A 1nx9D-1kclA:
undetectable		 1nx9D-1kclA:
21.41
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.
1QLT_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 TYR A  65
PHE A 381
ILE A 378
TYR A  18
 None
 1.46A 1qltA-1kclA:
0.0		 1qltA-1kclA:
20.87
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.
1QLT_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 TYR A  65
PHE A 381
ILE A 378
TYR A  18
 None
 1.44A 1qltB-1kclA:
0.0		 1qltB-1kclA:
20.87
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.
1VAO_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 TYR A  65
PHE A 381
ILE A 378
TYR A  18
 None
 1.45A 1vaoA-1kclA:
0.0		 1vaoA-1kclA:
20.82
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.
1VAO_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 TYR A  65
PHE A 381
ILE A 378
TYR A  18
 None
 1.45A 1vaoB-1kclA:
0.0		 1vaoB-1kclA:
20.82
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 ALA A 644
GLN A 586
VAL A 589
PHE A 591
LEU A 606
 MPD  A1701 ( 4.0A)
None
None
None
None
 1.05A 1xozA-1kclA:
undetectable		 1xozA-1kclA:
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.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 ILE A 358
LEU A 342
ALA A 387
GLU A 363
 None
 0.97A 1xvaA-1kclA:
undetectable
1xvaB-1kclA:
undetectable		 1xvaA-1kclA:
17.32
1xvaB-1kclA:
17.32
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 7 GLY A 559
TYR A 561
GLU A 612
SER A 611
 None
 1.08A 2ackA-1kclA:
undetectable		 2ackA-1kclA:
21.70
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.
2QEI_A_CXXA802_1
(TRANSPORTER)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 SER A 310
ARG A 284
PHE A 285
PHE A 348
 None
 1.11A 2qeiA-1kclA:
0.0		 2qeiA-1kclA:
22.24
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.
2W98_A_P1ZA1352_1
(PROSTAGLANDIN
REDUCTASE 2)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 7 TYR A  97
TYR A 360
LEU A  46
ASN A  45
 None
 1.33A 2w98A-1kclA:
0.0
2w98B-1kclA:
0.0		 2w98A-1kclA:
17.91
2w98B-1kclA:
17.91
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.38A 3aicA-1kclA:
7.9		 3aicA-1kclA:
23.26
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.78A 3aicA-1kclA:
7.9		 3aicA-1kclA:
23.26
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.36A 3aicB-1kclA:
5.1		 3aicB-1kclA:
23.26
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.78A 3aicB-1kclA:
5.1		 3aicB-1kclA:
23.26
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
TYR A 100
 GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
GLC  A1695 ( 3.1A)
 0.79A 3aicC-1kclA:
6.3		 3aicC-1kclA:
23.26
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.39A 3aicD-1kclA:
5.7		 3aicD-1kclA:
23.26
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.82A 3aicD-1kclA:
5.7		 3aicD-1kclA:
23.26
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.41A 3aicE-1kclA:
9.9		 3aicE-1kclA:
23.26
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.81A 3aicE-1kclA:
9.9		 3aicE-1kclA:
23.26
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.38A 3aicF-1kclA:
5.5		 3aicF-1kclA:
23.26
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.79A 3aicF-1kclA:
5.5		 3aicF-1kclA:
23.26
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.39A 3aicG-1kclA:
6.7		 3aicG-1kclA:
23.26
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.79A 3aicG-1kclA:
6.7		 3aicG-1kclA:
23.26
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.43A 3aicH-1kclA:
6.4		 3aicH-1kclA:
23.26
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.85A 3aicH-1kclA:
6.4		 3aicH-1kclA:
23.26
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.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		3 / 3 THR A 514
SER A 543
LYS A 526
 None
 1.17A 3aocC-1kclA:
0.0		 3aocC-1kclA:
22.02
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.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		3 / 3 THR A 516
SER A   7
LYS A 131
 None
 0.96A 3aocC-1kclA:
0.0		 3aocC-1kclA:
22.02
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 388
SER A 380
GLN A 364
VAL A  71
 None
 1.19A 3b9lA-1kclA:
undetectable		 3b9lA-1kclA:
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.
3BEX_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.39A 3bexA-1kclA:
undetectable
3bexB-1kclA:
undetectable		 3bexA-1kclA:
15.87
3bexB-1kclA:
15.87
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.
3BEX_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 9 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.39A 3bexA-1kclA:
undetectable
3bexB-1kclA:
undetectable		 3bexA-1kclA:
15.87
3bexB-1kclA:
15.87
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.38A 3bexC-1kclA:
undetectable
3bexD-1kclA:
undetectable		 3bexC-1kclA:
15.87
3bexD-1kclA:
15.87
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.39A 3bexC-1kclA:
0.6
3bexD-1kclA:
undetectable		 3bexC-1kclA:
15.87
3bexD-1kclA:
15.87
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.38A 3bexE-1kclA:
undetectable
3bexF-1kclA:
undetectable		 3bexE-1kclA:
15.87
3bexF-1kclA:
15.87
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.39A 3bexE-1kclA:
undetectable
3bexF-1kclA:
undetectable		 3bexE-1kclA:
15.87
3bexF-1kclA:
15.87
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.41A 3bf1A-1kclA:
undetectable
3bf1B-1kclA:
undetectable		 3bf1A-1kclA:
15.87
3bf1B-1kclA:
15.87
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.41A 3bf1C-1kclA:
undetectable
3bf1D-1kclA:
undetectable		 3bf1C-1kclA:
15.87
3bf1D-1kclA:
15.87
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.39A 3bf1E-1kclA:
undetectable
3bf1F-1kclA:
undetectable		 3bf1E-1kclA:
15.87
3bf1F-1kclA:
15.87
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.41A 3bf1E-1kclA:
undetectable
3bf1F-1kclA:
undetectable		 3bf1E-1kclA:
15.87
3bf1F-1kclA:
15.87
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 TYR A 406
GLY A 519
THR A  14
ASP A 518
ILE A 517
 None
 1.33A 3id5B-1kclA:
0.0		 3id5B-1kclA:
14.92
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.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 TYR A 406
GLY A 519
THR A  14
ASP A 518
ILE A 517
 None
 1.33A 3id5F-1kclA:
0.0		 3id5F-1kclA:
14.92
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.
3JW5_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 11 LEU A 307
LEU A 419
VAL A 434
PHE A 293
THR A 351
 None
 1.25A 3jw5A-1kclA:
undetectable		 3jw5A-1kclA:
12.08
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.
3KMO_A_EAAA214_1
(GLUTATHIONE
S-TRANSFERASE P)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 9 TYR A 456
VAL A 471
GLY A 454
GLN A 410
GLY A 475
 None
 1.02A 3kmoA-1kclA:
0.0		 3kmoA-1kclA:
15.53
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 ASN A 336
ALA A 337
ALA A 334
ARG A 294
 None
None
None
GLC  A1700 (-4.0A)
 1.34A 3kp2B-1kclA:
undetectable		 3kp2B-1kclA:
12.21
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 HIS A  98
PRO A 143
LEU A 197
ASP A 229
 BGC  A1696 (-4.1A)
None
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
 1.28A 3oi8A-1kclA:
undetectable		 3oi8A-1kclA:
11.59
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.
3PGY_B_GLYB509_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 4 PHE A 105
THR A 141
LEU A 211
TYR A 210
 None
 1.40A 3pgyB-1kclA:
0.7		 3pgyB-1kclA:
22.83
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.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 VAL A 262
GLY A 354
ARG A 284
ALA A 311
ASP A 313
 GLC  A1700 (-4.8A)
None
None
None
None
 1.03A 3sugA-1kclA:
undetectable		 3sugA-1kclA:
14.87
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		3 / 3 ALA A 357
GLN A 287
GLY A 261
 None
GLC  A1700 (-3.4A)
None
 0.40A 4odoC-1kclA:
undetectable		 4odoC-1kclA:
12.28
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.
4QYQ_C_3CJC607_1
(LACTOPEROXIDASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 GLN A 320
ASP A 282
ARG A 353
ARG A 284
 None
 1.36A 4qyqC-1kclA:
0.0		 4qyqC-1kclA:
21.63
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.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 ILE A 563
ALA A 315
VAL A 504
HIS A 503
ILE A 501
 None
 0.91A 4rvdA-1kclA:
undetectable		 4rvdA-1kclA:
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.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 ILE A 563
ALA A 315
VAL A 504
HIS A 503
ILE A 501
 None
 0.92A 4rvgA-1kclA:
undetectable		 4rvgA-1kclA:
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 1.09A 4yb6A-1kclA:
undetectable
4yb6E-1kclA:
undetectable		 4yb6A-1kclA:
19.67
4yb6E-1kclA:
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.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 1.10A 4yb6B-1kclA:
0.0
4yb6C-1kclA:
0.0		 4yb6B-1kclA:
19.67
4yb6C-1kclA:
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 1.07A 4yb6C-1kclA:
0.0
4yb6F-1kclA:
0.0		 4yb6C-1kclA:
19.67
4yb6F-1kclA:
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.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 1.06A 4yb6A-1kclA:
0.0
4yb6D-1kclA:
0.0		 4yb6A-1kclA:
19.67
4yb6D-1kclA:
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.
4YB6_E_HISE302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 1.06A 4yb6D-1kclA:
0.0
4yb6E-1kclA:
0.0		 4yb6D-1kclA:
19.67
4yb6E-1kclA:
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.
4YB6_F_HISF302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 1.09A 4yb6B-1kclA:
0.0
4yb6F-1kclA:
0.0		 4yb6B-1kclA:
19.67
4yb6F-1kclA:
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 ARG A 227
ASP A 229
GLU A 257
HIS A 327
ASP A 328
 GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.78A 5csyB-1kclA:
19.5		 5csyB-1kclA:
21.70
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.
5H3A_A_D16A401_1
(ORF70)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 7 PHE A 136
ILE A 215
ASP A 224
GLY A 225
 None
 0.89A 5h3aA-1kclA:
undetectable		 5h3aA-1kclA:
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 GLN A 320
ASP A 282
ARG A 353
ARG A 284
 None
 1.36A 5hpwC-1kclA:
0.0		 5hpwC-1kclA:
21.63
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 ASP A  63
ILE A  57
TYR A  18
TYR A 388
 None
 1.10A 5igyA-1kclA:
2.4		 5igyA-1kclA:
19.16
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.
5JMN_A_FUAA1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 ILE A  57
ILE A 130
HIS A 126
VAL A 132
 None
 0.88A 5jmnA-1kclA:
0.0		 5jmnA-1kclA:
21.94
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.
5LG3_B_Z80B401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 9 ILE A 215
PHE A 136
VAL A 252
ASP A 220
ILE A 223
 None
 1.29A 5lg3B-1kclA:
0.5		 5lg3B-1kclA:
19.75
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.
5LG3_C_Z80C401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 9 ILE A 215
PHE A 136
VAL A 252
ASP A 220
ILE A 223
 None
 1.23A 5lg3C-1kclA:
0.5		 5lg3C-1kclA:
19.75
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.
5LG3_D_Z80D401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 9 ILE A 215
PHE A 136
VAL A 252
ASP A 220
ILE A 223
 None
 1.27A 5lg3D-1kclA:
0.5		 5lg3D-1kclA:
19.75
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.
5LG3_F_Z80F401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 ILE A 215
PHE A 136
VAL A 252
ASP A 220
ILE A 223
 None
 1.28A 5lg3F-1kclA:
1.5		 5lg3F-1kclA:
19.75
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.
5LG3_G_Z80G401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 ILE A 215
PHE A 136
VAL A 252
ASP A 220
ILE A 223
 None
 1.26A 5lg3G-1kclA:
0.6		 5lg3G-1kclA:
19.75
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.
5LG3_H_Z80H401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 ILE A 215
PHE A 136
VAL A 252
ASP A 220
ILE A 223
 None
 1.26A 5lg3H-1kclA:
0.4		 5lg3H-1kclA:
19.75
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)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 TYR A  65
TYR A  18
ILE A  20
ILE A  74
ILE A  61
 None
 1.16A 5mzrA-1kclA:
0.0		 5mzrA-1kclA:
8.08
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.
5MZR_C_PFLC409_1
(PROTON-GATED ION
CHANNEL)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 10 TYR A  65
TYR A  18
ILE A  20
ILE A  74
ILE A  61
 None
 1.13A 5mzrC-1kclA:
0.0		 5mzrC-1kclA:
8.08
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.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		3 / 3 VAL A 434
LYS A 304
MET A 306
 None
 1.00A 5nknA-1kclA:
0.0		 5nknA-1kclA:
7.61
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_ACRA610_0
(ALPHA-AMYLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 TYR A 100
HIS A 140
LEU A 194
ASP A 229
HIS A 233
HIS A 327
ASP A 328
 GLC  A1695 ( 3.1A)
GLC  A1695 (-3.8A)
None
GLC  A1695 (-3.2A)
GLC  A1694 ( 4.0A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.60A 6ag0A-1kclA:
28.5		 6ag0A-1kclA:
8.16
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 194
ASP A 229
HIS A 233
HIS A 327
ASP A 328
 None
GLC  A1695 (-3.2A)
GLC  A1694 ( 4.0A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.50A 6ag0C-1kclA:
28.4		 6ag0C-1kclA:
8.16
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 THR A 409
LEU A 307
MET A 306
ARG A 284
ASP A 282
 None
 1.16A 6ie8A-1kclA:
0.0		 6ie8A-1kclA:
14.16