SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1itx'

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.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		6 / 9 TYR A  49
PHE A  77
GLY A 163
ASP A 202
ASP A 280
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
None
GOL  A1007 (-4.8A)
 0.95A 1e9lA-1itxA:
47.6		 1e9lA-1itxA:
29.91
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.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		7 / 9 TYR A  49
PHE A  77
GLY A 163
ASP A 202
MET A 277
TYR A 279
ASP A 280
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
 0.65A 1e9lA-1itxA:
47.6		 1e9lA-1itxA:
29.91
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.
1GRM_A_DVAA6_0
(GRAMICIDIN A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 ALA A  76
VAL A 161
TRP A 166
 None
 0.92A 1grmA-1itxA:
undetectable		 1grmA-1itxA:
3.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GRM_B_DVAB6_0
(GRAMICIDIN A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 ALA A  76
VAL A 161
TRP A 166
 None
 0.92A 1grmB-1itxA:
undetectable		 1grmB-1itxA:
3.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_B_ACTB1873_0
(FPRA)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 ASP A 212
ASP A  90
LYS A 216
 None
 1.12A 1lqtB-1itxA:
undetectable		 1lqtB-1itxA:
23.14
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.
1LQU_B_ACTB1430_0
(FPRA)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 ASP A 212
ASP A  90
LYS A 216
 None
 1.13A 1lquB-1itxA:
undetectable		 1lquB-1itxA:
23.14
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.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 SER A 252
VAL A 326
LEU A 264
 None
 0.71A 1yajG-1itxA:
0.0		 1yajG-1itxA:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		10 / 11 TYR A  49
PHE A  77
GLY A 163
ASP A 202
GLU A 204
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.44A 2a3aA-1itxA:
16.8		 2a3aA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		9 / 11 TYR A  49
PHE A  77
GLY A 163
TRP A 164
ASP A 202
GLU A 204
MET A 277
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.63A 2a3aA-1itxA:
16.8		 2a3aA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1435_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 TRP A 164
GLU A 204
TYR A 205
 None
GOL  A1007 (-3.7A)
None
 0.37A 2a3aA-1itxA:
16.8		 2a3aA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_B_TEPB2433_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		8 / 9 PHE A  77
GLY A 163
GLU A 204
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.50A 2a3aB-1itxA:
5.5		 2a3aB-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1433_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 5 TRP A 164
TYR A 205
MET A 277
ASP A 280
 None
None
GOL  A1007 ( 3.3A)
None
 0.88A 2a3bA-1itxA:
47.8		 2a3bA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1435_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		8 / 11 PHE A  77
GLY A 163
TRP A 164
ASP A 202
GLU A 204
MET A 277
TYR A 279
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.87A 2a3bA-1itxA:
47.8		 2a3bA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1435_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		9 / 11 PHE A  77
GLY A 163
TRP A 164
ASP A 202
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.6A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.65A 2a3bA-1itxA:
47.8		 2a3bA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1435_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		8 / 11 TYR A  49
PHE A  77
GLY A 163
ASP A 202
GLU A 204
MET A 277
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.74A 2a3bA-1itxA:
47.8		 2a3bA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1435_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		9 / 11 TYR A  49
PHE A  77
GLY A 163
ASP A 202
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.43A 2a3bA-1itxA:
47.8		 2a3bA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_B_CFFB2435_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		7 / 10 PHE A  77
GLY A 163
ASP A 202
GLU A 204
MET A 277
TYR A 279
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.75A 2a3bB-1itxA:
16.6		 2a3bB-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_B_CFFB2435_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		8 / 10 PHE A  77
GLY A 163
ASP A 202
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.43A 2a3bB-1itxA:
16.6		 2a3bB-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_A_PNXA1434_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		9 / 12 TYR A  49
TRP A  53
PHE A  77
GLY A 163
ASP A 202
GLU A 204
MET A 277
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
None
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.72A 2a3cA-1itxA:
16.8		 2a3cA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_A_PNXA1434_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		10 / 12 TYR A  49
TRP A  53
PHE A  77
GLY A 163
ASP A 202
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.1A)
None
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.40A 2a3cA-1itxA:
16.8		 2a3cA-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_B_PNXB2433_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		9 / 12 TRP A  53
PHE A  77
GLY A 163
THR A 165
ASP A 202
GLU A 204
MET A 277
TYR A 279
TRP A 433
 None
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.68A 2a3cB-1itxA:
15.7		 2a3cB-1itxA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_B_PNXB2433_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		10 / 12 TRP A  53
PHE A  77
GLY A 163
THR A 165
ASP A 202
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 None
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.6A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.41A 2a3cB-1itxA:
15.7		 2a3cB-1itxA:
33.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_A_SAMA500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 SER A 361
TRP A 342
GLY A 368
SER A 369
PHE A 370
 GOL  A1004 ( 4.1A)
None
None
None
None
 1.37A 2c2bA-1itxA:
0.5
2c2bB-1itxA:
1.0		 2c2bA-1itxA:
22.93
2c2bB-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_B_SAMB500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 LEU A 398
TRP A 342
GLY A 368
SER A 369
PHE A 370
 None
 1.49A 2c2bA-1itxA:
0.5
2c2bB-1itxA:
1.0		 2c2bA-1itxA:
22.93
2c2bB-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_B_SAMB500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 SER A 361
TRP A 342
GLY A 368
SER A 369
PHE A 370
 GOL  A1004 ( 4.1A)
None
None
None
None
 1.33A 2c2bA-1itxA:
0.5
2c2bB-1itxA:
1.0		 2c2bA-1itxA:
22.93
2c2bB-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_C_SAMC500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 SER A 361
TRP A 342
GLY A 368
SER A 369
PHE A 370
 GOL  A1004 ( 4.1A)
None
None
None
None
 1.34A 2c2bC-1itxA:
2.7
2c2bD-1itxA:
0.9		 2c2bC-1itxA:
22.93
2c2bD-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_D_SAMD500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 9 LEU A 398
TRP A 342
GLY A 368
SER A 369
PHE A 370
 None
 1.47A 2c2bC-1itxA:
2.7
2c2bD-1itxA:
0.9		 2c2bC-1itxA:
22.93
2c2bD-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_E_SAME500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 11 SER A 361
TRP A 342
GLY A 368
SER A 369
PHE A 370
 GOL  A1004 ( 4.1A)
None
None
None
None
 1.32A 2c2bE-1itxA:
0.8
2c2bF-1itxA:
0.8		 2c2bE-1itxA:
22.93
2c2bF-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_E_SAME500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 11 TRP A 342
GLY A 368
SER A 369
PHE A 370
LEU A 398
 None
 1.48A 2c2bE-1itxA:
0.8
2c2bF-1itxA:
0.8		 2c2bE-1itxA:
22.93
2c2bF-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_F_SAMF500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 SER A 361
TRP A 342
GLY A 368
SER A 369
PHE A 370
 GOL  A1004 ( 4.1A)
None
None
None
None
 1.34A 2c2bE-1itxA:
0.8
2c2bF-1itxA:
0.8		 2c2bE-1itxA:
22.93
2c2bF-1itxA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 5 TYR A  60
TYR A  50
ILE A  73
GLY A 437
 None
 1.35A 2du8J-1itxA:
undetectable		 2du8J-1itxA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8L_A_SAMA400_1
(HYPOTHETICAL PROTEIN
LMO1582)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 4 THR A 257
THR A 262
ASP A 220
ASP A 172
 None
 1.50A 2f8lA-1itxA:
undetectable		 2f8lA-1itxA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 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_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 THR A 357
ILE A 407
GLY A 341
GLY A 359
GLY A 339
 None
 0.97A 2fk8A-1itxA:
undetectable		 2fk8A-1itxA:
22.75
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.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 MET A 277
ASP A 200
ILE A 159
GLY A 162
SER A 167
 GOL  A1007 ( 3.3A)
None
None
None
None
 1.32A 2ogyB-1itxA:
2.6		 2ogyB-1itxA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		6 / 9 TYR A  49
PHE A  77
GLY A 163
ASP A 202
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.91A 2uy4A-1itxA:
18.5		 2uy4A-1itxA:
22.99
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		6 / 9 TYR A  49
PHE A  77
GLY A 163
GLU A 204
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.50A 2uy4A-1itxA:
18.5		 2uy4A-1itxA:
22.99
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 8 ASP A 200
SER A 160
ILE A 158
ASP A 202
 None
None
None
GOL  A1007 (-3.6A)
 1.13A 2xadD-1itxA:
undetectable		 2xadD-1itxA:
21.26
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.
2XAT_A_CLMA301_0
(XENOBIOTIC
ACETYLTRANSFERASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 GLY A 437
TYR A 373
SER A 436
 None
 0.68A 2xatA-1itxA:
0.0		 2xatA-1itxA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		6 / 11 TYR A  49
PHE A  77
GLY A 163
GLU A 204
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.77A 2xtkA-1itxA:
20.1		 2xtkA-1itxA:
22.00
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		6 / 10 TYR A  49
PHE A  77
GLY A 163
ASP A 202
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.95A 2xtkB-1itxA:
19.9		 2xtkB-1itxA:
22.00
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		6 / 10 TYR A  49
PHE A  77
GLY A 163
GLU A 204
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.57A 2xtkB-1itxA:
19.9		 2xtkB-1itxA:
22.00
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.
3ARQ_A_DM5A606_1
(CHITINASE A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 6 TRP A 164
ASP A 280
TRP A 285
ARG A 340
 None
 0.57A 3arqA-1itxA:
44.2		 3arqA-1itxA:
29.74
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.
3ARR_A_PNXA606_1
(CHITINASE A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 7 GLY A 253
ASP A 280
TRP A 285
ARG A 340
 GOL  A1008 (-3.5A)
None
None
None
 0.97A 3arrA-1itxA:
45.2		 3arrA-1itxA:
29.74
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.
3ARR_A_PNXA606_1
(CHITINASE A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 7 TRP A 164
ASP A 280
TRP A 285
ARG A 340
 None
 0.55A 3arrA-1itxA:
45.2		 3arrA-1itxA:
29.74
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.
3ARU_A_PNXA606_1
(CHITINASE A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 7 GLY A 253
ASP A 280
TRP A 285
ARG A 340
 GOL  A1008 (-3.5A)
None
None
None
 1.00A 3aruA-1itxA:
44.9		 3aruA-1itxA:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 8 THR A 165
GLU A 204
GLY A 210
GLU A 366
 None
GOL  A1007 (-3.7A)
None
None
 0.58A 3aruA-1itxA:
44.8		 3aruA-1itxA:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G6M_A_CFFA1_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		11 / 11 TYR A  49
PHE A  77
GLY A 163
TRP A 164
ASP A 202
GLU A 204
MET A 277
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.6A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.56A 3g6mA-1itxA:
49.3		 3g6mA-1itxA:
33.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G6M_A_CFFA427_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 5 TRP A 164
TYR A 205
MET A 277
ASP A 280
TRP A 285
 None
None
GOL  A1007 ( 3.3A)
None
None
 0.66A 3g6mA-1itxA:
49.3		 3g6mA-1itxA:
33.99
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 ARG A 217
ILE A  80
THR A  98
 None
 0.64A 3ia4D-1itxA:
0.0		 3ia4D-1itxA:
17.27
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 LEU A 333
GLY A 317
ALA A 254
PRO A 336
VAL A 335
 None
None
GOL  A1008 (-3.4A)
None
None
 0.94A 3jvyA-1itxA:
undetectable		 3jvyA-1itxA:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBH_B_PXLB400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 ASP A 410
VAL A 395
SER A 414
HIS A 291
VAL A 314
 None
 1.16A 3mbhB-1itxA:
undetectable		 3mbhB-1itxA:
21.45
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.
3MBH_C_PXLC400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 ASP A 410
VAL A 395
SER A 414
HIS A 291
VAL A 314
 None
 1.17A 3mbhC-1itxA:
undetectable		 3mbhC-1itxA:
21.45
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.
3MBH_D_PXLD400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 ASP A 410
VAL A 395
SER A 414
HIS A 291
VAL A 314
 None
 1.16A 3mbhD-1itxA:
undetectable		 3mbhD-1itxA:
21.45
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.
3MBH_E_PXLE400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 ASP A 410
VAL A 395
SER A 414
HIS A 291
VAL A 314
 None
 1.20A 3mbhE-1itxA:
undetectable		 3mbhE-1itxA:
21.45
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 TYR A 279
ALA A 430
GLY A 334
ASP A 450
LEU A 451
 GOL  A1007 ( 4.8A)
None
None
None
None
 1.26A 3ou7A-1itxA:
undetectable		 3ou7A-1itxA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 ILE A  46
LEU A 447
VAL A 415
ALA A 293
TYR A 279
 None
None
None
None
GOL  A1007 ( 4.8A)
 1.06A 3ozuA-1itxA:
2.0		 3ozuA-1itxA:
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 ILE A 274
ALA A 251
ASP A 200
ILE A 267
TYR A 258
 None
GOL  A1007 (-3.2A)
None
None
None
 1.25A 3qgtA-1itxA:
undetectable		 3qgtA-1itxA:
18.96
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 ILE A 274
ALA A 251
ASP A 200
ILE A 267
TYR A 258
 None
GOL  A1007 (-3.2A)
None
None
None
 1.25A 3qgtB-1itxA:
undetectable		 3qgtB-1itxA:
18.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WQV_A_GCSA501_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		7 / 11 PHE A  77
GLY A 163
ASP A 202
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.83A 3wqvA-1itxA:
48.8		 3wqvA-1itxA:
32.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WQV_A_GCSA501_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		10 / 11 PHE A  77
GLY A 163
TRP A 164
GLU A 204
MET A 277
TYR A 279
ASP A 280
TYR A 338
ARG A 340
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
None
GOL  A1007 (-4.8A)
 0.58A 3wqvA-1itxA:
48.8		 3wqvA-1itxA:
32.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WQW_A_GCSA501_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		7 / 11 PHE A  77
GLY A 163
ASP A 202
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.85A 3wqwA-1itxA:
48.9		 3wqwA-1itxA:
32.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WQW_A_GCSA501_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		10 / 11 PHE A  77
GLY A 163
TRP A 164
GLU A 204
MET A 277
TYR A 279
ASP A 280
TYR A 338
ARG A 340
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
None
GOL  A1007 (-4.8A)
 0.62A 3wqwA-1itxA:
48.9		 3wqwA-1itxA:
32.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 9 LEU A 118
ILE A 250
LEU A 248
ILE A 231
TYR A 194
 None
 1.22A 3zosB-1itxA:
undetectable		 3zosB-1itxA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 5 GLY A 114
ILE A 116
VAL A 111
SER A 186
 None
 1.24A 4d33B-1itxA:
0.0		 4d33B-1itxA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 ILE A 116
ALA A 184
LEU A 227
PRO A 206
ILE A  80
 None
 1.01A 4g8zX-1itxA:
undetectable		 4g8zX-1itxA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GBO_A_CUA301_0
(E7)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 5 HIS A 291
ALA A 393
GLN A 352
TYR A 353
 None
 1.20A 4gboA-1itxA:
undetectable		 4gboA-1itxA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GBO_B_CUB301_0
(E7)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 5 HIS A 291
ALA A 393
GLN A 352
TYR A 353
 None
 1.28A 4gboB-1itxA:
undetectable		 4gboB-1itxA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HB6_A_DXCA75_0
(PPCA)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 8 LEU A 331
ILE A 250
MET A 431
GLY A 334
 None
 0.85A 4hb6A-1itxA:
undetectable		 4hb6A-1itxA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMC_A_29JA603_1
(TRANSPORTER)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 ASP A 120
TYR A  56
GLY A 140
PHE A 129
SER A  52
 None
 1.28A 4mmcA-1itxA:
0.0		 4mmcA-1itxA:
22.82
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.
4XNX_A_41XA707_1
(TRANSPORTER)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 11 ASP A 202
ALA A 430
VAL A  47
TYR A  49
GLY A 334
 GOL  A1007 (-3.6A)
None
None
GOL  A1007 (-4.1A)
None
 1.16A 4xnxA-1itxA:
undetectable		 4xnxA-1itxA:
21.84
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.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 10 ASP A 202
ALA A 430
VAL A  47
TYR A  49
GLY A 334
 GOL  A1007 (-3.6A)
None
None
GOL  A1007 (-4.1A)
None
 1.22A 4xp1A-1itxA:
0.0		 4xp1A-1itxA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP9_C_1WEC706_1
(TRANSPORTER)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 4 PHE A  77
ASP A 200
GLY A 163
SER A 160
 GOL  A1007 (-4.8A)
None
GOL  A1007 ( 3.9A)
None
 1.26A 4xp9C-1itxA:
0.0		 4xp9C-1itxA:
21.82
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 5 GLY A 119
TYR A  50
SER A  52
ASP A 120
 None
 1.32A 4xueA-1itxA:
undetectable		 4xueA-1itxA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 ASP A  90
ASN A  95
PHE A  77
 None
None
GOL  A1007 (-4.8A)
 0.73A 5dsgB-1itxA:
0.0		 5dsgB-1itxA:
22.44
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.
5GQB_A_GCSA602_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		3 / 3 TRP A 164
GLU A 204
ASP A 280
 None
GOL  A1007 (-3.7A)
None
 0.23A 5gqbA-1itxA:
46.7		 5gqbA-1itxA:
29.65
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.
5GQB_A_GCSA603_1
(CHITINASE)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		8 / 8 PHE A  77
GLY A 163
TRP A 164
GLU A 204
TYR A 279
ASP A 280
ARG A 340
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.7A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.38A 5gqbA-1itxA:
46.6		 5gqbA-1itxA:
29.65
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.
5UIZ_A_CUA301_0
(AA10A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 5 HIS A 291
ALA A 393
GLN A 352
TYR A 353
 None
 1.21A 5uizA-1itxA:
undetectable		 5uizA-1itxA:
19.46