SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jcl'

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.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 PHE A 333
ALA A 342
ALA A 346
ARG A 437
TYR A 286
 None
 1.20A 1cbrA-4jclA:
undetectable		 1cbrA-4jclA:
11.53
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.
1CBR_B_REAB200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 PHE A 333
ALA A 342
ALA A 346
ARG A 437
TYR A 286
 None
 1.20A 1cbrB-4jclA:
undetectable		 1cbrB-4jclA:
11.53
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		12 / 12 HIS A  98
TYR A 100
LEU A 194
TYR A 195
LEU A 197
ASP A 229
ALA A 230
GLU A 258
HIS A 328
ASP A 329
ASP A 372
ARG A 376
 GOL  A 716 ( 3.7A)
GOL  A 711 ( 4.0A)
None
EDO  A 727 ( 4.9A)
EDO  A 720 ( 4.6A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
None
GOL  A 716 (-2.7A)
GOL  A 716 (-3.1A)
 0.49A 1dedA-4jclA:
61.3		 1dedA-4jclA:
67.69
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 TYR A 100
LEU A 197
ASP A 229
HIS A 328
ASP A 372
ARG A 376
 GOL  A 711 ( 4.0A)
EDO  A 720 ( 4.6A)
GOL  A 711 (-2.8A)
EDO  A 718 ( 3.9A)
GOL  A 716 (-2.7A)
GOL  A 716 (-3.1A)
 1.40A 1dedA-4jclA:
61.3		 1dedA-4jclA:
67.69
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		7 / 9 TYR A  97
TRP A 101
HIS A 140
ASP A 196
ARG A 227
LYS A 232
TRP A 259
 None
EDO  A 720 ( 4.0A)
GOL  A 711 (-4.0A)
EDO  A 720 ( 3.1A)
EDO  A 718 ( 4.8A)
None
None
 0.32A 1dedA-4jclA:
61.3		 1dedA-4jclA:
67.69
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 TRP A 617
LYS A 652
GLY A 666
ASN A 668
 None
 0.99A 1dedA-4jclA:
61.3		 1dedA-4jclA:
67.69
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 6 TRP A 617
LYS A 652
TRP A 663
GLY A 665
ASN A 668
 None
 0.64A 1dedA-4jclA:
61.3		 1dedA-4jclA:
67.69
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		11 / 12 HIS A  98
TYR A 100
TYR A 195
LEU A 197
ARG A 227
ASP A 229
ALA A 230
GLU A 258
HIS A 328
ASP A 329
ARG A 376
 GOL  A 716 ( 3.7A)
GOL  A 711 ( 4.0A)
EDO  A 727 ( 4.9A)
EDO  A 720 ( 4.6A)
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
None
GOL  A 716 (-3.1A)
 0.51A 1dedB-4jclA:
66.6		 1dedB-4jclA:
67.69
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		7 / 12 TYR A 100
LEU A 194
ARG A 227
ASP A 229
HIS A 328
ASP A 329
ARG A 376
 GOL  A 711 ( 4.0A)
None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
EDO  A 718 ( 3.9A)
None
GOL  A 716 (-3.1A)
 1.20A 1dedB-4jclA:
66.6		 1dedB-4jclA:
67.69
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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		8 / 9 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
ASP A 372
 EDO  A 720 (-4.5A)
EDO  A 720 ( 4.0A)
GOL  A 711 (-4.0A)
None
None
EDO  A 720 ( 3.1A)
None
GOL  A 716 (-2.7A)
 0.56A 1dedB-4jclA:
66.6		 1dedB-4jclA:
67.69
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.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 HIS A 140
TRP A 238
TYR A 210
ALA A 214
 GOL  A 711 (-4.0A)
None
None
None
 1.45A 1dy4A-4jclA:
undetectable		 1dy4A-4jclA:
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.
1ICU_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 PHE A 426
GLY A 503
SER A  13
THR A  14
 CL  A 705 ( 4.7A)
None
None
None
 1.29A 1icuC-4jclA:
undetectable
1icuD-4jclA:
undetectable		 1icuC-4jclA:
16.16
1icuD-4jclA:
16.16
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.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 PHE A 426
GLY A 503
SER A  13
THR A  14
 CL  A 705 ( 4.7A)
None
None
None
 1.28A 1icvA-4jclA:
undetectable
1icvB-4jclA:
undetectable		 1icvA-4jclA:
16.16
1icvB-4jclA:
16.16
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.
1KIF_A_BEZA349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.29A 1kifA-4jclA:
undetectable		 1kifA-4jclA:
20.97
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.
1KIF_B_BEZB349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.29A 1kifB-4jclA:
undetectable		 1kifB-4jclA:
20.97
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.
1KIF_C_BEZC349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.30A 1kifC-4jclA:
undetectable		 1kifC-4jclA:
20.97
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.
1KIF_D_BEZD349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.29A 1kifD-4jclA:
undetectable		 1kifD-4jclA:
20.97
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.
1KIF_E_BEZE349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.30A 1kifE-4jclA:
undetectable		 1kifE-4jclA:
20.97
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.
1KIF_F_BEZF349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.29A 1kifF-4jclA:
undetectable		 1kifF-4jclA:
20.97
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.
1KIF_G_BEZG349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.30A 1kifG-4jclA:
undetectable		 1kifG-4jclA:
20.97
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.
1KIF_H_BEZH349_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.29A 1kifH-4jclA:
undetectable		 1kifH-4jclA:
20.97
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		7 / 12 TYR A 100
HIS A 140
ARG A 227
ASP A 229
LYS A 232
HIS A 328
ASP A 329
 GOL  A 711 ( 4.0A)
GOL  A 711 (-4.0A)
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
None
EDO  A 718 ( 3.9A)
None
 0.70A 1mxdA-4jclA:
30.4		 1mxdA-4jclA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 TYR A 407
GLY A 520
THR A  14
ASP A 519
ILE A 518
 None
 1.22A 1nt2A-4jclA:
undetectable		 1nt2A-4jclA:
13.69
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.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 PHE A 294
LEU A 461
VAL A 490
VAL A 391
THR A 387
 None
 1.28A 1q23B-4jclA:
undetectable		 1q23B-4jclA:
15.26
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.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 THR A 343
LEU A 461
VAL A 490
VAL A 391
THR A 387
 None
 1.34A 1q23B-4jclA:
undetectable		 1q23B-4jclA:
15.26
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.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 ALA A 645
GLN A 587
VAL A 590
PHE A 592
LEU A 607
 None
 1.09A 1uduB-4jclA:
undetectable		 1uduB-4jclA:
17.39
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.
1VE9_A_BEZA352_0
(D-AMINO ACID OXIDASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 TYR A 639
TYR A 627
ILE A 186
GLY A 237
 GOL  A 709 (-3.5A)
GOL  A 709 (-4.7A)
None
GOL  A 709 (-3.8A)
 1.27A 1ve9A-4jclA:
undetectable		 1ve9A-4jclA:
20.97
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 ALA A 645
GLN A 587
VAL A 590
PHE A 592
LEU A 607
 None
 1.04A 1xozA-4jclA:
undetectable		 1xozA-4jclA:
17.83
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.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 8 ALA A 172
ALA A 206
SER A 162
LEU A 163
 None
 0.76A 2bxgA-4jclA:
undetectable		 2bxgA-4jclA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 9 LEU A 347
LEU A 349
LEU A 351
ILE A 325
TYR A 286
 None
 1.11A 2f78A-4jclA:
undetectable		 2f78A-4jclA:
16.06
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.
2F78_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 9 LEU A 347
LEU A 349
LEU A 351
ILE A 325
TYR A 286
 None
 1.13A 2f78B-4jclA:
undetectable		 2f78B-4jclA:
16.06
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.
2F7A_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 9 LEU A 347
LEU A 349
LEU A 351
ILE A 325
TYR A 286
 None
 1.04A 2f7aA-4jclA:
undetectable		 2f7aA-4jclA:
16.06
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.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 ILE A  17
ALA A  73
GLY A 225
ASP A 135
ARG A 227
VAL A  10
 None
None
None
EDO  A 718 (-3.1A)
EDO  A 718 ( 4.8A)
None
 1.29A 2qe6A-4jclA:
undetectable		 2qe6A-4jclA:
18.14
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 LEU A 607
GLY A 624
LEU A 614
SER A 616
 None
 0.86A 3aiaA-4jclA:
undetectable		 3aiaA-4jclA:
14.53
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 270
HIS A 328
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
 1.13A 3aicA-4jclA:
8.1		 3aicA-4jclA:
24.72
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.81A 3aicA-4jclA:
8.1		 3aicA-4jclA:
24.72
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.85A 3aicB-4jclA:
6.1		 3aicB-4jclA:
24.72
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
TYR A 100
 EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
GOL  A 711 ( 4.0A)
 0.87A 3aicC-4jclA:
5.9		 3aicC-4jclA:
24.72
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 270
HIS A 328
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
 1.15A 3aicD-4jclA:
9.7		 3aicD-4jclA:
24.72
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.87A 3aicD-4jclA:
9.7		 3aicD-4jclA:
24.72
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 270
HIS A 328
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
 1.16A 3aicE-4jclA:
6.4		 3aicE-4jclA:
24.72
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.86A 3aicE-4jclA:
6.4		 3aicE-4jclA:
24.72
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.85A 3aicF-4jclA:
6.0		 3aicF-4jclA:
24.72
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 270
HIS A 328
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
 1.16A 3aicG-4jclA:
6.2		 3aicG-4jclA:
24.72
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.83A 3aicG-4jclA:
6.2		 3aicG-4jclA:
24.72
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 270
HIS A 328
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
 1.21A 3aicH-4jclA:
9.5		 3aicH-4jclA:
24.72
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.90A 3aicH-4jclA:
9.5		 3aicH-4jclA:
24.72
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 8 TYR A 389
SER A 381
GLN A 365
VAL A  71
 None
None
None
GOL  A 715 (-4.9A)
 1.20A 3b9lA-4jclA:
undetectable		 3b9lA-4jclA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		3 / 3 SER A 244
GLU A 613
ASP A 586
 None
 0.83A 3bwyA-4jclA:
undetectable		 3bwyA-4jclA:
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.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 PHE A 294
THR A 340
VAL A 290
LEU A 349
ILE A 325
 None
 1.27A 3elzA-4jclA:
undetectable		 3elzA-4jclA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GV1_A_BEZA302_0
(DISULFIDE
INTERCHANGE PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 PRO A 138
HIS A 202
LYS A 212
ALA A 214
 None
 1.14A 3gv1A-4jclA:
undetectable
3gv1C-4jclA:
undetectable		 3gv1A-4jclA:
10.77
3gv1C-4jclA:
10.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GV1_B_BEZB301_0
(DISULFIDE
INTERCHANGE PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 LYS A 212
ALA A 214
PRO A 138
HIS A 202
 None
 1.18A 3gv1A-4jclA:
undetectable
3gv1B-4jclA:
undetectable		 3gv1A-4jclA:
10.77
3gv1B-4jclA:
10.77
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 11 TYR A 407
GLY A 520
THR A  14
ASP A 519
ILE A 518
 None
 1.31A 3id5B-4jclA:
undetectable		 3id5B-4jclA:
16.29
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.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 11 TYR A 407
GLY A 520
THR A  14
ASP A 519
ILE A 518
 None
 1.31A 3id5F-4jclA:
undetectable		 3id5F-4jclA:
16.29
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 10 VAL A 582
ILE A 554
ILE A 518
VAL A 505
VAL A 516
 None
 1.09A 3me6A-4jclA:
undetectable		 3me6A-4jclA:
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.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		3 / 3 TYR A 361
ASP A 326
ASP A 329
 None
 0.93A 3ou7B-4jclA:
undetectable		 3ou7B-4jclA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9V_B_DXCB323_0
(INVASIN IPAD)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 7 TRP A  54
ILE A  57
ILE A  61
LEU A  74
 None
 0.55A 3r9vA-4jclA:
undetectable
3r9vB-4jclA:
undetectable		 3r9vA-4jclA:
18.56
3r9vB-4jclA:
18.56
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 GLY A  99
PRO A 143
ALA A 198
GLY A 155
ASN A 193
 None
EDO  A 720 ( 4.9A)
None
None
None
 1.28A 3v3oB-4jclA:
undetectable		 3v3oB-4jclA:
18.35
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.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 11 GLY A  99
PRO A 143
ALA A 198
GLY A 155
ASN A 193
 None
EDO  A 720 ( 4.9A)
None
None
None
 1.30A 4a6nA-4jclA:
undetectable		 4a6nA-4jclA:
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.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 MET A 207
PHE A 211
ASP A 199
ASN A 193
GLY A 155
 None
None
CA  A 703 (-2.3A)
None
None
 1.40A 4djeB-4jclA:
5.9		 4djeB-4jclA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 7 ASP A  59
ASP A  53
ASN A  32
ASP A 117
 EDO  A 726 ( 4.9A)
CA  A 701 (-3.3A)
CA  A 701 (-3.2A)
GOL  A 717 (-2.9A)
 1.20A 4fevB-4jclA:
undetectable		 4fevB-4jclA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 7 ASP A  59
ASP A  53
ASN A  32
ASP A 117
 EDO  A 726 ( 4.9A)
CA  A 701 (-3.3A)
CA  A 701 (-3.2A)
GOL  A 717 (-2.9A)
 1.22A 4fewB-4jclA:
undetectable		 4fewB-4jclA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 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_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 8 ASP A  59
ASP A  53
ASN A  32
ASP A 117
 EDO  A 726 ( 4.9A)
CA  A 701 (-3.3A)
CA  A 701 (-3.2A)
GOL  A 717 (-2.9A)
 1.19A 4gkhD-4jclA:
undetectable		 4gkhD-4jclA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 ASP A  59
ASP A  53
ASN A  32
ASP A 117
 EDO  A 726 ( 4.9A)
CA  A 701 (-3.3A)
CA  A 701 (-3.2A)
GOL  A 717 (-2.9A)
 1.19A 4gkhJ-4jclA:
2.7		 4gkhJ-4jclA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		3 / 3 ASP A  27
VAL A  21
ASN A  32
 CA  A 701 (-3.1A)
EDO  A 718 ( 3.9A)
CA  A 701 (-3.2A)
 0.72A 4lmnA-4jclA:
undetectable		 4lmnA-4jclA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 LEU A 614
SER A 642
LEU A 649
ASN A 581
 None
 1.05A 4n09B-4jclA:
2.3		 4n09B-4jclA:
19.41
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 GLY A  64
PHE A 382
THR A  67
ASN A  62
LEU A  74
 CA  A 702 ( 4.9A)
None
GOL  A 715 (-4.8A)
EDO  A 725 (-3.8A)
None
 1.18A 4n48B-4jclA:
undetectable		 4n48B-4jclA:
19.97
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		3 / 3 LYS A 106
ASN A  82
ASP A 159
 EDO  A 719 (-2.5A)
None
EDO  A 719 ( 3.7A)
 0.89A 4o1eA-4jclA:
9.0		 4o1eA-4jclA:
18.87
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 GLY A 524
GLY A 525
GLY A 528
ALA A 527
PRO A 500
 None
None
None
CL  A 707 ( 4.3A)
None
 0.95A 4rtmA-4jclA:
undetectable		 4rtmA-4jclA:
19.03
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 10 GLY A 355
VAL A 356
THR A 350
VAL A 322
LEU A 351
 None
 1.07A 4yb6A-4jclA:
undetectable
4yb6E-4jclA:
undetectable		 4yb6A-4jclA:
17.47
4yb6E-4jclA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 10 GLY A 355
VAL A 356
THR A 350
VAL A 322
LEU A 351
 None
 1.07A 4yb6B-4jclA:
undetectable
4yb6C-4jclA:
undetectable		 4yb6B-4jclA:
17.47
4yb6C-4jclA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 10 GLY A 355
VAL A 356
THR A 350
VAL A 322
LEU A 351
 None
 1.04A 4yb6C-4jclA:
undetectable
4yb6F-4jclA:
undetectable		 4yb6C-4jclA:
17.47
4yb6F-4jclA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 10 LEU A 351
GLY A 355
VAL A 356
THR A 350
VAL A 322
 None
 1.03A 4yb6A-4jclA:
undetectable
4yb6D-4jclA:
undetectable		 4yb6A-4jclA:
17.47
4yb6D-4jclA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 10 LEU A 351
GLY A 355
VAL A 356
THR A 350
VAL A 322
 None
 1.04A 4yb6D-4jclA:
undetectable
4yb6E-4jclA:
undetectable		 4yb6D-4jclA:
17.47
4yb6E-4jclA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 10 LEU A 351
GLY A 355
VAL A 356
THR A 350
VAL A 322
 None
 1.07A 4yb6B-4jclA:
undetectable
4yb6F-4jclA:
undetectable		 4yb6B-4jclA:
17.47
4yb6F-4jclA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BW4_B_SAMB301_1
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		3 / 3 ASP A 372
GLU A 258
SER A  90
 GOL  A 716 (-2.7A)
None
EDO  A 727 ( 4.8A)
 0.83A 5bw4B-4jclA:
undetectable		 5bw4B-4jclA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 LEU A 281
PHE A 254
TYR A 317
ASN A 320
VAL A 322
 None
 1.17A 5d0yA-4jclA:
undetectable		 5d0yA-4jclA:
15.33
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.
5D0Y_B_FOLB201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 LEU A 281
PHE A 254
TYR A 317
ASN A 320
VAL A 322
 None
 1.17A 5d0yB-4jclA:
undetectable		 5d0yB-4jclA:
15.33
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.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 7 ILE A 318
VAL A 516
ILE A 502
ASN A 275
PHE A 580
 None
None
None
EDO  A 721 ( 4.4A)
None
 1.45A 5hieC-4jclA:
undetectable		 5hieC-4jclA:
18.05
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 11 TYR A 100
ASP A 135
ARG A 227
ILE A  20
ILE A  76
 GOL  A 711 ( 4.0A)
EDO  A 718 (-3.1A)
EDO  A 718 ( 4.8A)
None
None
 1.23A 5hw8B-4jclA:
undetectable		 5hw8B-4jclA:
9.33
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 ASP A  63
ILE A  57
TYR A  18
TYR A 389
 None
 1.06A 5igyA-4jclA:
2.2		 5igyA-4jclA:
18.02
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 TYR A 360
ARG A  24
TYR A  97
TYR A 100
 None
None
None
GOL  A 711 ( 4.0A)
 1.29A 5igyA-4jclA:
2.2		 5igyA-4jclA:
18.02
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 ASP A  63
ILE A  57
TYR A  18
TYR A 389
 None
 1.19A 5ih0A-4jclA:
2.4		 5ih0A-4jclA:
18.41
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.
5JMN_A_FUAA1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 5 ILE A  57
ILE A 130
HIS A 126
VAL A 132
 None
 0.86A 5jmnA-4jclA:
undetectable		 5jmnA-4jclA:
21.67
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.
5JWA_A_ACTA612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		3 / 3 LYS A 302
ASP A 303
ARG A 437
 PGE  A 730 (-3.0A)
None
None
 1.00A 5jwaA-4jclA:
undetectable
5jwaH-4jclA:
undetectable		 5jwaA-4jclA:
21.04
5jwaH-4jclA:
21.04
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		7 / 12 TYR A 100
HIS A 140
LEU A 194
ASP A 229
HIS A 233
HIS A 328
ASP A 329
 GOL  A 711 ( 4.0A)
GOL  A 711 (-4.0A)
None
GOL  A 711 (-2.8A)
None
EDO  A 718 ( 3.9A)
None
 0.77A 6ag0A-4jclA:
28.4		 6ag0A-4jclA:
9.09
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		7 / 12 TYR A 100
HIS A 140
LEU A 194
ASP A 229
LYS A 232
HIS A 233
HIS A 328
 GOL  A 711 ( 4.0A)
GOL  A 711 (-4.0A)
None
GOL  A 711 (-2.8A)
None
None
EDO  A 718 ( 3.9A)
 0.90A 6ag0A-4jclA:
28.4		 6ag0A-4jclA:
9.09
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 LEU A 194
ASP A 229
HIS A 233
HIS A 328
ASP A 329
 None
GOL  A 711 (-2.8A)
None
EDO  A 718 ( 3.9A)
None
 0.66A 6ag0C-4jclA:
28.5		 6ag0C-4jclA:
9.09
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 LEU A 194
ASP A 229
LYS A 232
HIS A 233
HIS A 328
 None
GOL  A 711 (-2.8A)
None
None
EDO  A 718 ( 3.9A)
 0.87A 6ag0C-4jclA:
28.5		 6ag0C-4jclA:
9.09
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.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 VAL A 231
GLY A 225
VAL A 223
PHE A 118
PRO A  79
 None
 0.93A 6brdC-4jclA:
undetectable		 6brdC-4jclA:
7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 VAL A 231
GLY A 225
VAL A 223
PHE A 118
PRO A  79
 None
 1.19A 6brdC-4jclA:
undetectable		 6brdC-4jclA:
7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 THR A 548
GLN A 549
THR A 517
VAL A 516
VAL A 566
 None
 1.20A 6bzoC-4jclA:
undetectable		 6bzoC-4jclA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 6 VAL A 132
PRO A  79
ALA A 125
THR A 124
 None
None
None
CL  A 708 ( 4.2A)
 1.01A 6cduB-4jclA:
undetectable
6cduC-4jclA:
undetectable		 6cduB-4jclA:
18.67
6cduC-4jclA:
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 4 LYS A 390
LEU A 464
ALA A 388
LEU A 465
 None
 1.34A 6gnrA-4jclA:
undetectable		 6gnrA-4jclA:
11.60
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.
6GNR_B_6J3B201_0
(TRANSTHYRETIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		4 / 4 LYS A 390
LEU A 464
ALA A 388
LEU A 465
 None
 1.33A 6gnrB-4jclA:
undetectable		 6gnrB-4jclA:
11.60
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.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Paenibacillus
macerans) 		5 / 12 ASN A  11
ILE A 550
ILE A 515
VAL A 530
PHE A 580
 None
 1.42A 6j21A-4jclA:
undetectable		 6j21A-4jclA:
20.89