SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wnp'

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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 7 THR A 273
SER A 272
SER A 239
ARG A 240
 None
 1.16A 1ibgL-3wnpA:
6.4		 1ibgL-3wnpA:
14.47
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.
1MXD_A_ACRA734_1
(ALPHA AMYLASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 ASN A  55
TYR A  54
GLY A  57
TRP A 110
 SO4  A 803 (-3.8A)
None
None
None
 1.23A 1mxdA-3wnpA:
13.0		 1mxdA-3wnpA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 7 ASN A  55
TYR A  54
GLY A  57
TRP A 110
 SO4  A 803 (-3.8A)
None
None
None
 1.21A 1mxgA-3wnpA:
13.4		 1mxgA-3wnpA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 7 LEU A 106
ALA A  66
LEU A 129
ALA A  78
 None
 1.00A 1sn0B-3wnpA:
2.0
1sn0D-3wnpA:
2.0		 1sn0B-3wnpA:
11.13
1sn0D-3wnpA:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 7 LEU A 129
ALA A  78
LEU A 106
ALA A  66
 None
 0.98A 1sn0B-3wnpA:
2.0
1sn0D-3wnpA:
2.0		 1sn0B-3wnpA:
11.13
1sn0D-3wnpA:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 TYR A 353
ILE A 305
TYR A 293
HIS A 290
ILE A 289
 None
 1.37A 1tcoC-3wnpA:
undetectable		 1tcoC-3wnpA:
9.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 GLY A 420
PRO A 465
ALA A 464
ILE A 462
 None
 0.91A 2aofA-3wnpA:
undetectable		 2aofA-3wnpA:
9.27
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 PHE A 603
THR A 707
LEU A  85
ALA A 606
 None
 1.48A 2e1qD-3wnpA:
undetectable		 2e1qD-3wnpA:
18.62
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.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 ALA A 364
GLY A 362
VAL A 356
ASP A 357
PHE A 330
 None
 1.05A 2f8lA-3wnpA:
undetectable		 2f8lA-3wnpA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 SER A 152
THR A 588
GLN A 516
 None
 0.82A 2fk8A-3wnpA:
undetectable		 2fk8A-3wnpA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PCP_C_1PCC212_1
(IMMUNOGLOBULIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 10 HIS A 260
TYR A 319
PHE A 278
GLY A 253
SER A 244
 None
 1.36A 2pcpC-3wnpA:
6.2
2pcpD-3wnpA:
6.2		 2pcpC-3wnpA:
15.88
2pcpD-3wnpA:
15.63
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 HIS A 567
MET A 560
MET A 413
 None
 1.12A 2vj1A-3wnpA:
undetectable		 2vj1A-3wnpA:
18.40
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 8 GLN A 219
ASP A 572
TYR A 148
SER A 152
 None
 0.82A 2xz5C-3wnpA:
undetectable
2xz5D-3wnpA:
undetectable		 2xz5C-3wnpA:
15.98
2xz5D-3wnpA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 4 LEU A  98
GLN A  65
THR A 104
THR A  70
 None
 1.47A 2zj0D-3wnpA:
undetectable		 2zj0D-3wnpA:
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 702
ALA A 558
VAL A 553
ARG A 554
GLU A 569
 None
 1.25A 3cwkA-3wnpA:
undetectable		 3cwkA-3wnpA:
10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 7 TYR A 150
GLU A 153
LEU A 570
ASN A 574
 None
None
None
SO4  A 808 (-3.9A)
 1.43A 3k8mA-3wnpA:
12.9		 3k8mA-3wnpA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_A_TFPA202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.13A 3ko0A-3wnpA:
undetectable
3ko0B-3wnpA:
undetectable
3ko0C-3wnpA:
undetectable
3ko0D-3wnpA:
undetectable		 3ko0A-3wnpA:
9.04
3ko0B-3wnpA:
9.04
3ko0C-3wnpA:
9.04
3ko0D-3wnpA:
9.04
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.
3KO0_B_TFPB202_2
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 0.97A 3ko0B-3wnpA:
undetectable		 3ko0B-3wnpA:
9.04
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASP A 325
LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 1.18A 3ko0A-3wnpA:
undetectable
3ko0B-3wnpA:
undetectable
3ko0C-3wnpA:
undetectable
3ko0D-3wnpA:
undetectable		 3ko0A-3wnpA:
9.04
3ko0B-3wnpA:
9.04
3ko0C-3wnpA:
9.04
3ko0D-3wnpA:
9.04
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.09A 3ko0C-3wnpA:
undetectable
3ko0D-3wnpA:
undetectable
3ko0E-3wnpA:
undetectable
3ko0F-3wnpA:
undetectable		 3ko0C-3wnpA:
9.04
3ko0D-3wnpA:
9.04
3ko0E-3wnpA:
9.04
3ko0F-3wnpA:
9.04
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.
3KO0_E_TFPE202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASP A 325
LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 1.15A 3ko0C-3wnpA:
undetectable
3ko0D-3wnpA:
undetectable
3ko0E-3wnpA:
undetectable
3ko0F-3wnpA:
undetectable		 3ko0C-3wnpA:
9.04
3ko0D-3wnpA:
9.04
3ko0E-3wnpA:
9.04
3ko0F-3wnpA:
9.04
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.14A 3ko0G-3wnpA:
undetectable
3ko0H-3wnpA:
undetectable
3ko0I-3wnpA:
undetectable
3ko0J-3wnpA:
undetectable		 3ko0G-3wnpA:
9.04
3ko0H-3wnpA:
9.04
3ko0I-3wnpA:
9.04
3ko0J-3wnpA:
9.04
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.
3KO0_I_TFPI202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 ASP A 325
LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 1.17A 3ko0G-3wnpA:
undetectable
3ko0H-3wnpA:
undetectable
3ko0I-3wnpA:
undetectable
3ko0J-3wnpA:
undetectable		 3ko0G-3wnpA:
9.04
3ko0H-3wnpA:
9.04
3ko0I-3wnpA:
9.04
3ko0J-3wnpA:
9.04
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.
3KO0_J_TFPJ202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASP A 325
LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 1.10A 3ko0A-3wnpA:
undetectable
3ko0B-3wnpA:
undetectable
3ko0I-3wnpA:
undetectable
3ko0J-3wnpA:
undetectable		 3ko0A-3wnpA:
9.04
3ko0B-3wnpA:
9.04
3ko0I-3wnpA:
9.04
3ko0J-3wnpA:
9.04
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.
3KO0_L_TFPL202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.10A 3ko0K-3wnpA:
undetectable
3ko0L-3wnpA:
undetectable
3ko0M-3wnpA:
undetectable
3ko0N-3wnpA:
undetectable		 3ko0K-3wnpA:
9.04
3ko0L-3wnpA:
9.04
3ko0M-3wnpA:
9.04
3ko0N-3wnpA:
9.04
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.
3KO0_M_TFPM202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.10A 3ko0M-3wnpA:
undetectable
3ko0N-3wnpA:
undetectable
3ko0O-3wnpA:
undetectable
3ko0P-3wnpA:
undetectable		 3ko0M-3wnpA:
9.04
3ko0N-3wnpA:
9.04
3ko0O-3wnpA:
9.04
3ko0P-3wnpA:
9.04
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.
3KO0_N_TFPN202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASP A 325
LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 1.16A 3ko0K-3wnpA:
undetectable
3ko0L-3wnpA:
undetectable
3ko0M-3wnpA:
undetectable
3ko0N-3wnpA:
undetectable		 3ko0K-3wnpA:
9.04
3ko0L-3wnpA:
9.04
3ko0M-3wnpA:
9.04
3ko0N-3wnpA:
9.04
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.13A 3ko0O-3wnpA:
undetectable
3ko0P-3wnpA:
undetectable
3ko0Q-3wnpA:
undetectable
3ko0R-3wnpA:
undetectable		 3ko0O-3wnpA:
9.04
3ko0P-3wnpA:
9.04
3ko0Q-3wnpA:
9.04
3ko0R-3wnpA:
9.04
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.
3KO0_S_TFPS202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 0.98A 3ko0S-3wnpA:
undetectable		 3ko0S-3wnpA:
9.04
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.
3KO0_T_TFPT202_1
(PROTEIN S100-A4)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 11 ASP A 325
LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 1.12A 3ko0Q-3wnpA:
undetectable
3ko0R-3wnpA:
undetectable
3ko0S-3wnpA:
undetectable
3ko0T-3wnpA:
undetectable		 3ko0Q-3wnpA:
9.04
3ko0R-3wnpA:
9.04
3ko0S-3wnpA:
9.04
3ko0T-3wnpA:
9.04
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 TYR A 601
HIS A 567
THR A 566
VAL A 408
 None
 0.92A 3lb3A-3wnpA:
undetectable		 3lb3A-3wnpA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 TYR A 601
HIS A 567
THR A 566
VAL A 408
 None
 0.82A 3lb3B-3wnpA:
undetectable		 3lb3B-3wnpA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSF_H_PZIH800_0
(GLUTAMATE RECEPTOR 2)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 8 SER A 331
LEU A 334
ASP A 335
LYS A 338
 None
 0.91A 3lsfH-3wnpA:
undetectable		 3lsfH-3wnpA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 106
PHE A 108
ILE A 124
ALA A 126
LEU A 129
 None
 1.18A 3n8xA-3wnpA:
undetectable		 3n8xA-3wnpA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 VAL A 642
SER A 632
LEU A 661
 None
 0.74A 3n8xA-3wnpA:
undetectable		 3n8xA-3wnpA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SOA_A_DB8A445_1
(CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 LEU A 710
VAL A 695
MET A 738
VAL A 727
 None
 1.06A 3soaA-3wnpA:
undetectable		 3soaA-3wnpA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_A_AZMA229_2
(CARBONIC ANHYDRASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 GLN A 309
PHE A 330
TYR A 237
 None
 0.85A 3ucjB-3wnpA:
2.2		 3ucjB-3wnpA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_B_AZMB229_1
(CARBONIC ANHYDRASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 GLN A 309
PHE A 330
TYR A 237
 None
 0.85A 3ucjA-3wnpA:
2.0		 3ucjA-3wnpA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 10 VAL A 526
PHE A 474
LEU A 488
VAL A 490
VAL A 495
 None
 0.96A 4e3hA-3wnpA:
undetectable		 4e3hA-3wnpA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 LEU A 628
SER A 634
LEU A 661
ASN A 640
 None
 1.30A 4n09C-3wnpA:
undetectable		 4n09C-3wnpA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 GLU A 706
GLN A 131
THR A 605
HIS A 175
 None
MES  A 809 (-4.5A)
None
None
 1.33A 4pfjB-3wnpA:
undetectable		 4pfjB-3wnpA:
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 ARG A 209
ASP A 205
TYR A 182
 None
None
GLC  A 820 (-4.3A)
 0.82A 4yo9B-3wnpA:
0.6		 4yo9B-3wnpA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DNU_A_BEZA319_0
(SHKAI2IB)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 GLN A 309
HIS A 306
ILE A 236
TYR A 237
 None
 0.99A 5dnuA-3wnpA:
undetectable		 5dnuA-3wnpA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DNV_A_BEZA304_0
(SHKAI2IB)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 GLN A 309
HIS A 306
ILE A 236
TYR A 237
 None
 1.00A 5dnvA-3wnpA:
undetectable		 5dnvA-3wnpA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G08_A_Z80A1187_1
(FREQUENIN 2)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 ILE A 289
TYR A 288
PHE A 278
TRP A 186
 None
 1.38A 5g08A-3wnpA:
undetectable		 5g08A-3wnpA:
16.33
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.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 PRO A 583
HIS A 306
ALA A 238
LEU A 275
 None
 0.96A 5igiA-3wnpA:
undetectable		 5igiA-3wnpA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JQ7_B_T0RB705_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 7 VAL A 307
ALA A 234
LEU A 351
LEU A 341
 None
 0.61A 5jq7A-3wnpA:
undetectable		 5jq7A-3wnpA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 TYR A 243
TYR A 255
GLN A 263
 None
 1.17A 5jsdA-3wnpA:
2.5
5jsdB-3wnpA:
undetectable		 5jsdA-3wnpA:
24.72
5jsdB-3wnpA:
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 TYR A 243
TYR A 255
GLN A 263
 None
 1.17A 5jsdB-3wnpA:
undetectable
5jsdC-3wnpA:
undetectable		 5jsdB-3wnpA:
24.72
5jsdC-3wnpA:
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 10 HIS A 224
ALA A 230
PHE A 302
THR A 299
LEU A 216
 None
 1.34A 5mm4B-3wnpA:
undetectable		 5mm4B-3wnpA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUD_A_ERMA2001_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 7 ASN A 734
VAL A 727
GLN A 708
GLU A 706
 None
 0.91A 5tudA-3wnpA:
undetectable		 5tudA-3wnpA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_B_ACTB309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 TYR A 737
ALA A 606
TYR A 607
 None
 0.85A 5uunB-3wnpA:
undetectable		 5uunB-3wnpA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 7 ASN A 438
HIS A 439
ASP A 449
TRP A 506
ASN A 539
 None
 0.32A 5x7pA-3wnpA:
9.2		 5x7pA-3wnpA:
21.53
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 LEU A  80
THR A  49
PRO A 113
ARG A 118
 None
None
SO4  A 804 (-4.0A)
None
 1.30A 6ew0B-3wnpA:
undetectable		 6ew0B-3wnpA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 LEU A  80
THR A  49
PRO A 113
ARG A 118
 None
None
SO4  A 804 (-4.0A)
None
 1.30A 6ew0D-3wnpA:
undetectable		 6ew0D-3wnpA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 LEU A  80
THR A  49
PRO A 113
ARG A 118
 None
None
SO4  A 804 (-4.0A)
None
 1.29A 6ew0H-3wnpA:
undetectable		 6ew0H-3wnpA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 5 LEU A  80
THR A  49
PRO A 113
ARG A 118
 None
None
SO4  A 804 (-4.0A)
None
 1.29A 6ew0I-3wnpA:
undetectable		 6ew0I-3wnpA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 10 VAL A 307
ALA A 234
LEU A 351
LEU A 341
LEU A 334
 None
 0.92A 6f5uA-3wnpA:
0.8
6f5uB-3wnpA:
undetectable		 6f5uA-3wnpA:
8.26
6f5uB-3wnpA:
8.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6N_A_SREA508_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 10 VAL A 307
ALA A 234
LEU A 351
LEU A 341
LEU A 334
 None
 0.81A 6f6nA-3wnpA:
undetectable
6f6nB-3wnpA:
undetectable		 6f6nA-3wnpA:
8.26
6f6nB-3wnpA:
8.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 GLY A 571
GLN A 575
SER A 152
TYR A 581
ILE A 568
 None
None
None
GLC  A 819 (-4.2A)
None
 1.47A 6md4A-3wnpA:
undetectable		 6md4A-3wnpA:
8.14