SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NGT'


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.
1A4G_B_ZMRB466_2
(NEURAMINIDASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		3 / 3 ASP A 391
ARG A 446
ILE A 476
 NGT  A1565 (-2.9A)
SN5  A1566 ( 3.5A)
SN5  A1564 (-3.5A)
 0.87A 1a4gB-2wk2A:
undetectable		 1a4gB-2wk2A:
20.98
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.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 9 TYR A 163
PHE A 191
GLY A 274
ASP A 313
ASP A 391
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.4A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 3.5A)
 0.95A 1e9lA-2wk2A:
42.4		 1e9lA-2wk2A:
21.99
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.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 9 TYR A 163
PHE A 191
GLY A 274
ASP A 313
MET A 388
TYR A 390
ASP A 391
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.4A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
 0.78A 1e9lA-2wk2A:
42.4		 1e9lA-2wk2A:
21.99
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.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		4 / 6 PRO A 317
ASP A 313
ASP A 311
TYR A 335
 None
NGT  A1565 (-3.4A)
None
None
 1.20A 1hpkA-2wk2A:
undetectable		 1hpkA-2wk2A:
8.15
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		4 / 8 LEU I 416
LEU I 173
GLU I 394
TRP I 460
 None
None
None
NGT  A  21 (-3.7A)
 1.07A 1i7zA-2gk1I:
undetectable		 1i7zA-2gk1I:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		5 / 12 ASP B 345
GLU B 269
HIS B 341
HIS B 217
HIS B 219
 NGT  B 707 (-3.9A)
None
None
None
None
 1.26A 1ituA-5oarB:
6.7		 1ituA-5oarB:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JFF_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.11A 1jffB-2gk1I:
undetectable		 1jffB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 11 TYR A 163
PHE A 191
GLY A 274
ASP A 313
MET A 388
TYR A 390
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.4A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.76A 2a3aA-2wk2A:
13.3		 2a3aA-2wk2A:
28.27
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.
2A3A_A_TEPA1433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		9 / 11 TYR A 163
PHE A 191
GLY A 274
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.38A 2a3aA-2wk2A:
13.3		 2a3aA-2wk2A:
28.27
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.
2A3A_A_TEPA1433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 11 TYR A 163
PHE A 191
GLY A 274
TRP A 275
GLU A 315
MET A 388
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 (-3.3A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.56A 2a3aA-2wk2A:
13.3		 2a3aA-2wk2A:
28.27
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.
2A3A_A_TEPA1436_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		3 / 3 ASP A 391
PHE A 396
ARG A 446
 NGT  A1565 (-2.9A)
SN5  A1567 ( 4.1A)
SN5  A1566 ( 3.5A)
 0.47A 2a3aA-2wk2A:
13.3		 2a3aA-2wk2A:
28.27
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.
2A3A_B_TEPB2433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 9 PHE A 191
GLY A 274
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.39A 2a3aB-2wk2A:
43.5		 2a3aB-2wk2A:
28.27
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.
2A3B_A_CFFA1435_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 11 TYR A 163
PHE A 191
ASP A 313
MET A 388
TYR A 390
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.86A 2a3bA-2wk2A:
43.4		 2a3bA-2wk2A:
28.27
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.
2A3B_A_CFFA1435_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 11 TYR A 163
PHE A 191
GLY A 274
GLU A 315
MET A 388
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.73A 2a3bA-2wk2A:
43.4		 2a3bA-2wk2A:
28.27
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.
2A3B_A_CFFA1435_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 11 TYR A 163
PHE A 191
GLY A 274
MET A 388
TYR A 390
ASP A 391
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.39A 2a3bA-2wk2A:
43.4		 2a3bA-2wk2A:
28.27
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.
2A3B_B_CFFB2435_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 10 PHE A 191
ASP A 313
GLU A 315
MET A 388
TYR A 390
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 1.02A 2a3bB-2wk2A:
43.5		 2a3bB-2wk2A:
28.27
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.
2A3B_B_CFFB2435_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 10 PHE A 191
ASP A 313
MET A 388
TYR A 390
TYR A 444
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.86A 2a3bB-2wk2A:
43.5		 2a3bB-2wk2A:
28.27
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.
2A3B_B_CFFB2435_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 10 PHE A 191
GLY A 274
GLU A 315
MET A 388
TYR A 390
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.71A 2a3bB-2wk2A:
43.5		 2a3bB-2wk2A:
28.27
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.
2A3B_B_CFFB2435_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 10 PHE A 191
GLY A 274
MET A 388
TYR A 390
ASP A 391
TYR A 444
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.32A 2a3bB-2wk2A:
43.5		 2a3bB-2wk2A:
28.27
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.
2A3C_A_PNXA1434_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 12 TYR A 163
TRP A 167
PHE A 191
ASP A 313
GLU A 315
MET A 388
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 1.01A 2a3cA-2wk2A:
13.3		 2a3cA-2wk2A:
28.27
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.
2A3C_A_PNXA1434_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 12 TYR A 163
TRP A 167
PHE A 191
ASP A 313
MET A 388
TYR A 390
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.84A 2a3cA-2wk2A:
13.3		 2a3cA-2wk2A:
28.27
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.
2A3C_A_PNXA1434_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 12 TYR A 163
TRP A 167
PHE A 191
GLY A 274
GLU A 315
MET A 388
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.74A 2a3cA-2wk2A:
13.3		 2a3cA-2wk2A:
28.27
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.
2A3C_A_PNXA1434_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		9 / 12 TYR A 163
TRP A 167
PHE A 191
GLY A 274
MET A 388
TYR A 390
ASP A 391
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.40A 2a3cA-2wk2A:
13.3		 2a3cA-2wk2A:
28.27
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 12 TRP A 167
PHE A 191
ASP A 313
GLU A 315
MET A 388
TYR A 390
TRP A 539
 SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 1.01A 2a3cB-2wk2A:
43.5		 2a3cB-2wk2A:
28.27
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 12 TRP A 167
PHE A 191
ASP A 313
MET A 388
TYR A 390
TYR A 444
TRP A 539
 SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.83A 2a3cB-2wk2A:
43.5		 2a3cB-2wk2A:
28.27
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 12 TRP A 167
PHE A 191
GLY A 274
THR A 276
GLU A 315
MET A 388
TYR A 390
TRP A 539
 SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1563 ( 3.3A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.72A 2a3cB-2wk2A:
43.5		 2a3cB-2wk2A:
28.27
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		9 / 12 TRP A 167
PHE A 191
GLY A 274
THR A 276
MET A 388
TYR A 390
ASP A 391
TYR A 444
TRP A 539
 SN5  A1563 ( 4.0A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1563 ( 3.3A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.40A 2a3cB-2wk2A:
43.5		 2a3cB-2wk2A:
28.27
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.
2HXF_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.11A 2hxfB-2gk1I:
undetectable		 2hxfB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HXH_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.11A 2hxhB-2gk1I:
undetectable		 2hxhB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P4N_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.11A 2p4nB-2gk1I:
undetectable		 2p4nB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 9 TYR A 163
PHE A 191
GLY A 274
ASP A 313
GLU A 315
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.45A 2uy4A-2wk2A:
18.4		 2uy4A-2wk2A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WBE_B_TA1B1439_1
(TUBULIN BETA-2B
CHAIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.11A 2wbeB-2gk1I:
undetectable		 2wbeB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 11 TYR A 163
PHE A 191
GLY A 274
ASP A 313
GLU A 315
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.72A 2xtkA-2wk2A:
19.7		 2xtkA-2wk2A:
21.47
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 10 TYR A 163
PHE A 191
GLY A 274
ASP A 313
GLU A 315
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.55A 2xtkB-2wk2A:
19.9		 2xtkB-2wk2A:
21.47
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.
2Y6R_A_CTCA1385_0
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 10 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.32A 2y6rA-2wk2A:
undetectable		 2y6rA-2wk2A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARQ_A_DM5A606_1
(CHITINASE A)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 6 TRP A 275
LYS A 369
ASP A 391
TYR A 418
ARG A 446
 SN5  A1566 (-3.3A)
SN5  A1567 (-3.2A)
NGT  A1565 (-2.9A)
SN5  A1567 (-2.9A)
SN5  A1566 ( 3.5A)
 0.58A 3arqA-2wk2A:
56.1		 3arqA-2wk2A:
51.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARR_A_PNXA606_1
(CHITINASE A)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 7 TRP A 275
GLY A 366
LYS A 369
ASP A 391
TYR A 418
ARG A 446
 SN5  A1566 (-3.3A)
SN5  A1567 ( 4.5A)
SN5  A1567 (-3.2A)
NGT  A1565 (-2.9A)
SN5  A1567 (-2.9A)
SN5  A1566 ( 3.5A)
 0.63A 3arrA-2wk2A:
57.3		 3arrA-2wk2A:
51.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARR_A_PNXA607_1
(CHITINASE A)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 7 TRP A 167
SER A 210
HIS A 229
THR A 276
LEU A 277
TRP A 539
 SN5  A1563 ( 4.0A)
SN5  A1563 (-3.6A)
SN5  A1563 ( 4.7A)
SN5  A1563 ( 3.3A)
None
NGT  A1565 ( 3.5A)
 0.69A 3arrA-2wk2A:
57.3		 3arrA-2wk2A:
51.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARU_A_PNXA606_1
(CHITINASE A)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 7 PHE A 316
GLY A 366
LYS A 369
ASP A 391
TYR A 418
ARG A 446
 None
SN5  A1567 ( 4.5A)
SN5  A1567 (-3.2A)
NGT  A1565 (-2.9A)
SN5  A1567 (-2.9A)
SN5  A1566 ( 3.5A)
 0.55A 3aruA-2wk2A:
33.2		 3aruA-2wk2A:
51.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		3 / 3 SER B 274
GLU B 307
ASP B 345
 None
NGT  B 707 (-3.7A)
NGT  B 707 (-3.9A)
 0.81A 3bwmA-5oarB:
undetectable		 3bwmA-5oarB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		3 / 3 SER B 274
GLU B 307
ASP B 345
 None
NGT  B 707 (-3.7A)
NGT  B 707 (-3.9A)
 0.80A 3bwyA-5oarB:
undetectable		 3bwyA-5oarB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		4 / 5 HIS I 204
ASP I 258
HIS I 262
ASP I 322
 None
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
 1.22A 3c0zA-2gk1I:
undetectable		 3c0zA-2gk1I:
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		4 / 5 HIS B 219
ASP B 271
HIS B 275
ASP B 345
 None
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
 1.17A 3c0zA-5oarB:
undetectable		 3c0zA-5oarB:
13.30
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		4 / 6 HIS B 219
ASP B 271
HIS B 275
ASP B 345
 None
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
 1.21A 3c0zC-5oarB:
undetectable		 3c0zC-5oarB:
13.30
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.
3DCO_B_TA1B601_1
(BOVINE BETA TUBULIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.12A 3dcoB-2gk1I:
undetectable		 3dcoB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EDL_B_TA1B601_1
(BETA TUBULIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.10A 3edlB-2gk1I:
undetectable		 3edlB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G6M_A_CFFA1_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		7 / 11 TYR A 163
PHE A 191
ASP A 313
MET A 388
TYR A 390
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 (-3.4A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.87A 3g6mA-2wk2A:
43.9		 3g6mA-2wk2A:
27.56
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.
3G6M_A_CFFA1_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		10 / 11 TYR A 163
PHE A 191
GLY A 274
TRP A 275
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 (-3.3A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
NGT  A1565 ( 3.5A)
 0.59A 3g6mA-2wk2A:
43.9		 3g6mA-2wk2A:
27.56
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.
3IZ0_B_TA1B820_1
(BETA TUBULIN, CHAIN
B FROM PDB 1JFF)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.11A 3iz0B-2gk1I:
undetectable		 3iz0B-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.10A 3j6pB-2gk1I:
undetectable		 3j6pB-2gk1I:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		10 / 12 ARG I 178
HIS I 204
ASP I 207
ASP I 258
HIS I 262
ASP I 322
TRP I 392
TYR I 421
TRP I 460
GLU I 462
 NGT  A  21 (-2.3A)
None
NGT  A  21 (-3.8A)
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 ( 4.3A)
None
NGT  A  21 (-3.7A)
NGT  A  21 (-3.0A)
 0.25A 3lmyA-2gk1I:
54.2		 3lmyA-2gk1I:
51.67
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		11 / 12 ARG B 193
HIS B 219
ASP B 222
ASP B 271
HIS B 275
ASP B 345
TRP B 419
TYR B 445
ASP B 447
TRP B 517
GLU B 519
 NGT  B 707 (-3.0A)
None
NGT  B 707 ( 4.7A)
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
NGT  B 707 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.4A)
NGT  B 707 (-3.8A)
NGT  B 707 (-3.0A)
 0.40A 3lmyA-5oarB:
43.7		 3lmyA-5oarB:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		7 / 12 ARG B 193
HIS B 219
ASP B 222
ASP B 271
TRP B 419
TYR B 445
GLU B 307
 NGT  B 707 (-3.0A)
None
NGT  B 707 ( 4.7A)
None
NGT  B 707 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.7A)
 1.31A 3lmyA-5oarB:
43.7		 3lmyA-5oarB:
9.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		12 / 12 ARG I 178
HIS I 204
ASP I 207
ASP I 258
HIS I 262
ASP I 322
GLU I 323
TRP I 373
TRP I 392
TYR I 421
TRP I 460
GLU I 462
 NGT  A  21 (-2.3A)
None
NGT  A  21 (-3.8A)
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 (-3.4A)
NGT  A  21 (-3.0A)
NGT  A  21 ( 4.3A)
None
NGT  A  21 (-3.7A)
NGT  A  21 (-3.0A)
 0.33A 3lmyB-2gk1I:
54.1		 3lmyB-2gk1I:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 ASP I 208
HIS I 262
ASP I 322
GLU I 323
TRP I 392
 None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 (-3.4A)
NGT  A  21 ( 4.3A)
 1.32A 3lmyB-2gk1I:
54.1		 3lmyB-2gk1I:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 HIS I 204
ASP I 207
GLU I 462
TYR I 421
TRP I 460
 None
NGT  A  21 (-3.8A)
NGT  A  21 (-3.0A)
None
NGT  A  21 (-3.7A)
 1.33A 3lmyB-2gk1I:
54.1		 3lmyB-2gk1I:
51.67
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.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		12 / 12 ARG B 193
HIS B 219
ASP B 222
ASP B 271
HIS B 275
ASP B 345
GLU B 346
TRP B 397
TRP B 419
TYR B 445
TRP B 517
GLU B 519
 NGT  B 707 (-3.0A)
None
NGT  B 707 ( 4.7A)
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
NGT  B 707 (-3.1A)
NGT  B 707 (-3.8A)
NGT  B 707 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.8A)
NGT  B 707 (-3.0A)
 0.48A 3lmyB-5oarB:
43.5		 3lmyB-5oarB:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		8 / 12 ARG B 193
HIS B 219
ASP B 222
ASP B 271
TRP B 397
TRP B 419
TYR B 445
GLU B 307
 NGT  B 707 (-3.0A)
None
NGT  B 707 ( 4.7A)
None
NGT  B 707 (-3.8A)
NGT  B 707 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.7A)
 1.22A 3lmyB-5oarB:
43.5		 3lmyB-5oarB:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)		 2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D
(Streptococcus
pneumoniae) 		4 / 8 PHE A 409
ALA A 375
PHE A 471
PHE A 412
 NGT  A1809 ( 4.6A)
None
NGT  A1809 (-4.1A)
NGT  A1809 (-4.4A)
 1.13A 3t3sE-2w92A:
undetectable		 3t3sE-2w92A:
22.34
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 12 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.23A 3v3oB-2wk2A:
undetectable		 3v3oB-2wk2A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 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_D_T1CD401_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 10 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.27A 3v3oD-2wk2A:
0.0		 3v3oD-2wk2A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		3 / 3 PRO I 209
ASP I 207
GLU I 462
 None
NGT  A  21 (-3.8A)
NGT  A  21 (-3.0A)
 0.77A 3v4tC-2gk1I:
undetectable		 3v4tC-2gk1I:
22.45
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.
3VYW_A_SAMA501_1
(MNMC2)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		4 / 6 HIS I 262
ASP I 395
ASP I 322
GLU I 394
 NGT  A  21 (-3.4A)
None
NGT  A  21 (-3.2A)
None
 1.25A 3vywA-2gk1I:
undetectable		 3vywA-2gk1I:
23.15
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.
3WQV_A_GCSA501_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		11 / 11 PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
ARG A 446
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 (-3.3A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
SN5  A1566 ( 3.5A)
NGT  A1565 ( 3.5A)
 0.49A 3wqvA-2wk2A:
42.8		 3wqvA-2wk2A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		11 / 11 PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
ARG A 446
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 (-3.3A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
SN5  A1566 ( 3.5A)
NGT  A1565 ( 3.5A)
 0.51A 3wqwA-2wk2A:
42.9		 3wqwA-2wk2A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 11 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.20A 4a6nA-2wk2A:
undetectable		 4a6nA-2wk2A:
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.
4A6N_B_T1CB392_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 11 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.20A 4a6nB-2wk2A:
undetectable		 4a6nB-2wk2A:
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.
4A6N_C_T1CC392_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 11 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.20A 4a6nC-2wk2A:
0.0		 4a6nC-2wk2A:
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.
4A99_A_MIYA391_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 10 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.33A 4a99A-2wk2A:
undetectable		 4a99A-2wk2A:
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.
4A99_B_MIYB391_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 11 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.30A 4a99B-2wk2A:
undetectable		 4a99B-2wk2A:
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.
4A99_C_MIYC391_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 11 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.31A 4a99C-2wk2A:
undetectable		 4a99C-2wk2A:
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.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 11 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.32A 4a99D-2wk2A:
undetectable		 4a99D-2wk2A:
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.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		5 / 11 ARG B 193
VAL B 306
GLU B 307
GLU B 519
ASP B 399
 NGT  B 707 (-3.0A)
None
NGT  B 707 (-3.7A)
NGT  B 707 (-3.0A)
None
 1.29A 4d9hA-5oarB:
undetectable		 4d9hA-5oarB:
14.52
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		 2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D
(Streptococcus
pneumoniae) 		3 / 3 THR A 377
ASN A 413
PHE A 412
 None
None
NGT  A1809 (-4.4A)
 0.71A 4pd9A-2w92A:
undetectable		 4pd9A-2w92A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		3 / 3 SER B 274
GLU B 307
ASP B 345
 None
NGT  B 707 (-3.7A)
NGT  B 707 (-3.9A)
 0.85A 4xudA-5oarB:
undetectable		 4xudA-5oarB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		5 / 12 ASP B 442
HIS B 219
ASP B 271
HIS B 275
ASP B 345
 None
None
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
 1.32A 5ef8A-5oarB:
undetectable		 5ef8A-5oarB:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		5 / 12 ASP B 442
HIS B 219
ASP B 271
HIS B 275
ASP B 345
 None
None
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
 1.34A 5ef8B-5oarB:
undetectable		 5ef8B-5oarB:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
(Homo
sapiens;
Homo
sapiens) 		4 / 6 TYR N 456
GLY I 461
GLU I 462
ASP I 207
 None
None
NGT  A  21 (-3.0A)
NGT  A  21 (-3.8A)
 1.00A 5emlA-2gk1N:
4.0		 5emlA-2gk1N:
17.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GQB_A_GCSA602_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		3 / 3 TRP A 275
GLU A 315
ASP A 391
 SN5  A1566 (-3.3A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-2.9A)
 0.18A 5gqbA-2wk2A:
65.8		 5gqbA-2wk2A:
72.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GQB_A_GCSA603_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		8 / 8 PHE A 191
GLY A 274
TRP A 275
GLU A 315
TYR A 390
ASP A 391
ARG A 446
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 (-3.3A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
SN5  A1566 ( 3.5A)
NGT  A1565 ( 3.5A)
 0.25A 5gqbA-2wk2A:
65.8		 5gqbA-2wk2A:
72.96
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.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		5 / 12 VAL I 206
ASP I 207
PHE I 305
THR I 297
GLY I 261
 None
NGT  A  21 (-3.8A)
None
None
None
 1.09A 5ogcB-2gk1I:
undetectable		 5ogcB-2gk1I:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		3 / 3 PHE B 453
ARG B 193
ALA B 305
 None
NGT  B 707 (-3.0A)
None
 0.85A 6ecfB-5oarB:
undetectable		 6ecfB-5oarB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN8_A_GLYA607_0
(UNCHARACTERIZED
PROTEIN)		 2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens) 		4 / 4 GLU I 256
ASP I 175
ARG I 178
TRP I 460
 None
None
NGT  A  21 (-2.3A)
NGT  A  21 (-3.7A)
 1.11A 6mn8A-2gk1I:
0.0		 6mn8A-2gk1I:
22.74
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.
6MN8_A_GLYA607_0
(UNCHARACTERIZED
PROTEIN)		 5oar BETA-HEXOSAMINIDASE
(Aspergillus
oryzae) 		4 / 4 GLU B 269
ASP B 190
ARG B 193
TRP B 517
 None
None
NGT  B 707 (-3.0A)
NGT  B 707 (-3.8A)
 1.03A 6mn8A-5oarB:
undetectable		 6mn8A-5oarB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QGB_E_BEZE701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D
(Streptococcus
pneumoniae) 		5 / 11 GLY A 439
LEU A 442
ALA A 472
PHE A 409
ALA A 228
 None
None
None
NGT  A1809 ( 4.6A)
None
 1.49A 6qgbE-2w92A:
2.2		 6qgbE-2w92A:
23.08