SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'SN5'


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.
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 5df0 AC-CHIA
(Autographa
californica
multiple
nucleopolyhedrov
irus) 		11 / 12 TRP A 157
PHE A 181
GLY A 264
THR A 266
ASP A 303
GLU A 305
MET A 379
TYR A 381
ASP A 382
TYR A 435
TRP A 528
 None
58Y  A 605 (-4.5A)
58Y  A 605 ( 4.2A)
SN5  A 604 (-3.1A)
None
58Y  A 605 (-3.1A)
58Y  A 605 (-3.3A)
58Y  A 605 (-4.9A)
58Y  A 605 ( 3.0A)
None
58Y  A 605 (-3.7A)
 0.65A 2a3cB-5df0A:
43.4		 2a3cB-5df0A:
27.63
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2wk2 CHITINASE A
(Serratia
marcescens) 		4 / 8 ILE A 482
PHE A 460
GLY A 447
ILE A 476
 None
None
None
SN5  A1564 (-3.5A)
 0.96A 2qwxA-2wk2A:
undetectable
2qwxB-2wk2A:
undetectable		 2qwxA-2wk2A:
18.75
2qwxB-2wk2A:
18.75
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.
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.
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
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.
3ARR_A_PNXA607_1
(CHITINASE A)		 5df0 AC-CHIA
(Autographa
californica
multiple
nucleopolyhedrov
irus) 		5 / 7 SER A 200
HIS A 219
THR A 266
LEU A 267
TRP A 528
 None
None
SN5  A 604 (-3.1A)
None
58Y  A 605 (-3.7A)
 0.79A 3arrA-5df0A:
55.0		 3arrA-5df0A:
44.98
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)		 5df0 AC-CHIA
(Autographa
californica
multiple
nucleopolyhedrov
irus) 		5 / 7 TRP A 157
SER A 200
HIS A 219
THR A 266
LEU A 267
 None
None
None
SN5  A 604 (-3.1A)
None
 0.56A 3arrA-5df0A:
55.0		 3arrA-5df0A:
44.98
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARU_A_PNXA607_1
(CHITINASE A)		 2wk2 CHITINASE A
(Serratia
marcescens) 		6 / 8 THR A 276
GLU A 315
PHE A 316
GLY A 321
ALA A 322
GLU A 473
 SN5  A1563 ( 3.3A)
SN5  A1566 ( 2.9A)
None
None
None
SN5  A1564 ( 3.6A)
 0.40A 3aruA-2wk2A:
33.2		 3aruA-2wk2A:
51.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARU_A_PNXA608_1
(CHITINASE A)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 6 TRP A 167
SER A 210
ALA A 213
HIS A 229
ASP A 230
 SN5  A1563 ( 4.0A)
SN5  A1563 (-3.6A)
None
SN5  A1563 ( 4.7A)
None
 0.38A 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.
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.
3SPK_A_TPVA100_2
(HIV-1 PROTEASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		4 / 7 LEU A 204
ASN A 201
ILE A 272
THR A 276
 None
None
None
SN5  A1563 ( 3.3A)
 0.82A 3spkB-2wk2A:
undetectable		 3spkB-2wk2A:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 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.
4J4V_B_SVRB301_1
(NUCLEOCAPSID PROTEIN)		 2wk2 CHITINASE A
(Serratia
marcescens) 		5 / 10 GLY A 470
ARG A 172
ALA A 543
VAL A 477
PRO A 467
 None
SN5  A1563 ( 4.2A)
None
None
None
 1.41A 4j4vB-2wk2A:
0.0		 4j4vB-2wk2A:
17.54
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.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)		 2wk2 CHITINASE A
(Serratia
marcescens) 		3 / 3 ASP A 368
TRP A 275
SER A 364
 SN5  A1567 ( 4.8A)
SN5  A1566 (-3.3A)
SN5  A1567 ( 4.4A)
 0.99A 4lrhB-2wk2A:
undetectable		 4lrhB-2wk2A:
16.04
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.
4LRH_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)		 2wk2 CHITINASE A
(Serratia
marcescens) 		3 / 3 ASP A 368
TRP A 275
SER A 364
 SN5  A1567 ( 4.8A)
SN5  A1566 (-3.3A)
SN5  A1567 ( 4.4A)
 0.97A 4lrhF-2wk2A:
undetectable		 4lrhF-2wk2A:
16.04
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GQB_A_GCSA604_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		4 / 4 TRP A 167
TRP A 275
THR A 276
LEU A 277
 SN5  A1563 ( 4.0A)
SN5  A1566 (-3.3A)
SN5  A1563 ( 3.3A)
None
 0.30A 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_GCSA604_1
(CHITINASE)		 5df0 AC-CHIA
(Autographa
californica
multiple
nucleopolyhedrov
irus) 		4 / 4 TRP A 157
TRP A 265
THR A 266
LEU A 267
 None
NAG  A 603 ( 3.9A)
SN5  A 604 (-3.1A)
None
 0.36A 5gqbA-5df0A:
62.6		 5gqbA-5df0A:
61.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GQB_A_GCSA605_1
(CHITINASE)		 2wk2 CHITINASE A
(Serratia
marcescens) 		3 / 3 TRP A 167
ILE A 207
SER A 210
 SN5  A1563 ( 4.0A)
SN5  A1563 ( 4.0A)
SN5  A1563 (-3.6A)
 0.68A 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.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5df0 AC-CHIA
(Autographa
californica
multiple
nucleopolyhedrov
irus) 		5 / 12 GLU A 529
ARG A 162
GLY A 158
LEU A 256
ILE A 530
 SN5  A 604 (-3.9A)
None
None
None
None
 1.16A 5vooA-5df0A:
3.1		 5vooA-5df0A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5df0 AC-CHIA
(Autographa
californica
multiple
nucleopolyhedrov
irus) 		5 / 12 GLU A 529
ARG A 162
GLY A 158
LEU A 256
ILE A 530
 SN5  A 604 (-3.9A)
None
None
None
None
 1.14A 5vooC-5df0A:
4.2		 5vooC-5df0A:
21.07