SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4dws'

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.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 ILE A 203
ILE A 305
LEU A 376
ILE A 373
PHE A 303
 None
 1.08A 1bsxA-4dwsA:
undetectable		 1bsxA-4dwsA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 ILE A 203
ILE A 305
LEU A 376
ILE A 373
PHE A 303
 None
 1.08A 1bsxB-4dwsA:
undetectable		 1bsxB-4dwsA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 9 PHE A 200
GLY A 307
ASP A 347
MET A 422
TYR A 424
ASP A 425
TRP A 582
 None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.73A 1e9lA-4dwsA:
33.8		 1e9lA-4dwsA:
22.38
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.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 9 TYR A 156
PHE A 200
GLY A 307
ASP A 347
TYR A 424
ASP A 425
TRP A 582
 None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.64A 1e9lA-4dwsA:
33.8		 1e9lA-4dwsA:
22.38
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 LEU A 201
PHE A 269
TYR A 273
PHE A 198
GLY A 220
 None
 1.06A 1fe2A-4dwsA:
undetectable		 1fe2A-4dwsA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_C_CCSC47_0
(GLUTATHIONE
S-TRANSFERASE)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 6 LEU A 167
GLY A 169
LYS A 107
TYR A 108
 None
 1.10A 1gtiC-4dwsA:
undetectable		 1gtiC-4dwsA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 5 LEU A 167
GLY A 169
LYS A 107
TYR A 108
 None
 1.10A 1gtiF-4dwsA:
undetectable		 1gtiF-4dwsA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK3_A_T44A3002_1
(SERUM ALBUMIN)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 8 GLN A 586
LEU A 196
LEU A 281
SER A 199
 GOL  A 701 (-3.5A)
None
None
None
 1.04A 1hk3A-4dwsA:
undetectable		 1hk3A-4dwsA:
20.91
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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 11 ILE A 516
ASN A 532
SER A 130
GLY A 504
ASP A 515
 None
 1.09A 1ho5A-4dwsA:
undetectable		 1ho5A-4dwsA:
22.30
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.
1MXF_B_MTXB2278_1
(PTERIDINE REDUCTASE
2)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 11 TYR A 520
PHE A 534
LEU A 129
PRO A 511
THR A 429
 None
 1.48A 1mxfB-4dwsA:
3.4		 1mxfB-4dwsA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXF_C_MTXC3278_1
(PTERIDINE REDUCTASE
2)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 11 TYR A 520
PHE A 534
LEU A 129
PRO A 511
THR A 429
 None
 1.49A 1mxfC-4dwsA:
1.9		 1mxfC-4dwsA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXF_D_MTXD4278_1
(PTERIDINE REDUCTASE
2)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 11 TYR A 520
PHE A 534
LEU A 129
PRO A 511
THR A 429
 None
 1.47A 1mxfD-4dwsA:
1.7		 1mxfD-4dwsA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 11 TYR A 156
PHE A 200
GLY A 307
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.89A 2a3aA-4dwsA:
12.6		 2a3aA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		9 / 11 TYR A 156
PHE A 200
GLY A 307
ASP A 347
GLU A 349
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.57A 2a3aA-4dwsA:
12.6		 2a3aA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 11 TYR A 156
PHE A 200
GLY A 307
TRP A 308
ASP A 347
GLU A 349
MET A 422
 None
 0.78A 2a3aA-4dwsA:
12.6		 2a3aA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1435_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 TRP A 308
GLU A 349
TYR A 350
 None
 0.50A 2a3aA-4dwsA:
12.6		 2a3aA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 9 PHE A 200
GLY A 307
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.91A 2a3aB-4dwsA:
34.0		 2a3aB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 9 PHE A 200
GLY A 307
GLU A 349
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.57A 2a3aB-4dwsA:
34.0		 2a3aB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 5 TRP A 308
TYR A 350
MET A 422
ASP A 425
 None
 0.98A 2a3bA-4dwsA:
33.8		 2a3bA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		8 / 11 TYR A 156
PHE A 200
GLY A 307
TRP A 308
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.89A 2a3bA-4dwsA:
33.9		 2a3bA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 11 TYR A 156
PHE A 200
GLY A 307
TRP A 308
ASP A 347
GLU A 349
MET A 422
 None
 0.82A 2a3bA-4dwsA:
33.9		 2a3bA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		9 / 11 TYR A 156
PHE A 200
GLY A 307
TRP A 308
ASP A 347
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.62A 2a3bA-4dwsA:
33.9		 2a3bA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2435_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		6 / 10 PHE A 200
GLY A 307
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
GOL  A 701 (-4.2A)
 0.90A 2a3bB-4dwsA:
34.0		 2a3bB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2435_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 10 PHE A 200
GLY A 307
ASP A 347
GLU A 349
MET A 422
 None
 0.80A 2a3bB-4dwsA:
34.0		 2a3bB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2435_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 10 PHE A 200
GLY A 307
ASP A 347
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.53A 2a3bB-4dwsA:
34.0		 2a3bB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 12 TYR A 156
PHE A 200
GLY A 307
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.88A 2a3cA-4dwsA:
12.6		 2a3cA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 12 TYR A 156
TRP A 160
PHE A 200
GLY A 307
ASP A 347
GLU A 349
MET A 422
 None
GOL  A 701 (-3.9A)
None
None
None
None
None
 0.79A 2a3cA-4dwsA:
12.6		 2a3cA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		9 / 12 TYR A 156
TRP A 160
PHE A 200
GLY A 307
ASP A 347
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
GOL  A 701 (-3.9A)
None
None
None
None
None
None
None
 0.55A 2a3cA-4dwsA:
12.6		 2a3cA-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		6 / 12 PHE A 200
GLY A 307
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
GOL  A 701 (-4.2A)
 0.86A 2a3cB-4dwsA:
34.0		 2a3cB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		6 / 12 TRP A 160
PHE A 200
GLY A 307
ASP A 347
GLU A 349
MET A 422
 GOL  A 701 (-3.9A)
None
None
None
None
None
 0.80A 2a3cB-4dwsA:
34.0		 2a3cB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		8 / 12 TRP A 160
PHE A 200
GLY A 307
ASP A 347
MET A 422
TYR A 424
ASP A 425
TYR A 482
 GOL  A 701 (-3.9A)
None
None
None
None
None
None
None
 0.53A 2a3cB-4dwsA:
34.0		 2a3cB-4dwsA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 LEU A 590
ASN A 593
LEU A 591
ALA A 592
THR A 609
 None
 1.21A 2aa6A-4dwsA:
undetectable		 2aa6A-4dwsA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 PRO A 351
GLY A 307
PHE A 314
ALA A 395
TYR A 369
 MLZ  A 405 ( 4.9A)
None
None
None
None
 1.46A 2axnA-4dwsA:
undetectable		 2axnA-4dwsA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 9 GLU A 458
ALA A 460
TYR A 463
LEU A 403
GLU A 467
 None
None
MLY  A 400 ( 4.9A)
MLY  A 400 ( 4.0A)
None
 1.45A 2azqA-4dwsA:
undetectable		 2azqA-4dwsA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 PHE A 303
ILE A 238
ILE A 203
PHE A 314
LEU A 372
 None
 1.03A 2ft9A-4dwsA:
undetectable		 2ft9A-4dwsA:
12.15
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.
2J2P_F_SC2F1291_1
(FICOLIN-2)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 6 SER A 154
ASP A 300
ASP A 194
GLU A 391
 None
 1.12A 2j2pE-4dwsA:
undetectable
2j2pF-4dwsA:
undetectable		 2j2pE-4dwsA:
17.88
2j2pF-4dwsA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 LEU A 183
LEU A 186
MET A 187
GLY A 284
LEU A 281
 None
 1.01A 2ouzA-4dwsA:
undetectable		 2ouzA-4dwsA:
18.10
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)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 9 TYR A 156
PHE A 200
GLY A 307
ASP A 347
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.89A 2uy4A-4dwsA:
17.5		 2uy4A-4dwsA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 9 TYR A 156
PHE A 200
GLY A 307
ASP A 347
TYR A 424
 None
 1.02A 2uy4A-4dwsA:
17.5		 2uy4A-4dwsA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 9 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.64A 2uy4A-4dwsA:
17.5		 2uy4A-4dwsA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 9 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TYR A 424
 None
 0.57A 2uy4A-4dwsA:
17.5		 2uy4A-4dwsA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 8 ILE A 435
PHE A 548
LEU A 491
GLY A 553
 None
None
None
MLY  A 552 ( 2.4A)
 0.96A 2vdbA-4dwsA:
undetectable		 2vdbA-4dwsA:
20.95
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 11 TYR A 156
PHE A 200
GLY A 307
ASP A 347
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.90A 2xtkA-4dwsA:
18.0		 2xtkA-4dwsA:
20.85
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 11 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.61A 2xtkA-4dwsA:
18.0		 2xtkA-4dwsA:
20.85
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 11 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TYR A 424
 None
 0.78A 2xtkA-4dwsA:
18.0		 2xtkA-4dwsA:
20.85
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 10 TYR A 156
PHE A 200
GLY A 307
ASP A 347
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.86A 2xtkB-4dwsA:
18.1		 2xtkB-4dwsA:
20.85
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 10 TYR A 156
PHE A 200
GLY A 307
ASP A 347
TYR A 424
 None
 1.05A 2xtkB-4dwsA:
18.1		 2xtkB-4dwsA:
20.85
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 10 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.49A 2xtkB-4dwsA:
18.1		 2xtkB-4dwsA:
20.85
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 10 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TYR A 424
 None
 0.60A 2xtkB-4dwsA:
18.1		 2xtkB-4dwsA:
20.85
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 7 GLN A 224
ILE A 233
SER A 266
TYR A 273
 None
 1.38A 2xz5D-4dwsA:
undetectable
2xz5E-4dwsA:
undetectable		 2xz5D-4dwsA:
18.86
2xz5E-4dwsA:
18.86
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 7 GLN A 224
ILE A 233
TYR A 273
CYH A 204
 None
 1.31A 2xz5D-4dwsA:
undetectable
2xz5E-4dwsA:
undetectable		 2xz5D-4dwsA:
18.86
2xz5E-4dwsA:
18.86
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.
3ARR_A_PNXA606_1
(CHITINASE A)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 7 TRP A 308
GLY A 398
ASP A 425
ARG A 484
 None
 0.98A 3arrA-4dwsA:
35.4		 3arrA-4dwsA:
28.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 ILE A 238
LEU A 372
ILE A 346
PRO A 351
ILE A 203
 None
None
None
MLZ  A 405 ( 4.9A)
None
 1.16A 3cd2A-4dwsA:
undetectable		 3cd2A-4dwsA:
16.67
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.
3G6M_A_CFFA1_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		8 / 11 TYR A 156
PHE A 200
GLY A 307
TRP A 308
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.86A 3g6mA-4dwsA:
7.6		 3g6mA-4dwsA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4dws CHI2
(Yersinia
entomophaga) 		10 / 11 TYR A 156
PHE A 200
GLY A 307
TRP A 308
ASP A 347
GLU A 349
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.59A 3g6mA-4dwsA:
7.6		 3g6mA-4dwsA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 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_CFFA427_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 5 TRP A 308
TYR A 350
MET A 422
ASP A 425
 None
 0.77A 3g6mA-4dwsA:
34.5		 3g6mA-4dwsA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 10 ALA A 318
PHE A 314
SER A 330
ILE A 238
ILE A 346
 None
 1.19A 3qgtB-4dwsA:
undetectable		 3qgtB-4dwsA:
22.27
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 TYR A 163
MET A 187
LEU A 255
 None
 1.00A 3vw1D-4dwsA:
undetectable		 3vw1D-4dwsA:
16.82
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.
3WQV_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		6 / 11 PHE A 200
GLY A 307
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
GOL  A 701 (-4.2A)
 1.14A 3wqvA-4dwsA:
34.1		 3wqvA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 11 PHE A 200
GLY A 307
ASP A 347
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.84A 3wqvA-4dwsA:
34.1		 3wqvA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		8 / 11 PHE A 200
GLY A 307
TRP A 308
GLU A 349
ASP A 425
TYR A 482
ARG A 484
TRP A 582
 None
None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.83A 3wqvA-4dwsA:
34.1		 3wqvA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		9 / 11 PHE A 200
GLY A 307
TRP A 308
GLU A 349
MET A 422
TYR A 424
ASP A 425
TYR A 482
ARG A 484
 None
 0.58A 3wqvA-4dwsA:
34.1		 3wqvA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		6 / 11 PHE A 200
GLY A 307
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
GOL  A 701 (-4.2A)
 1.15A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 11 PHE A 200
GLY A 307
ASP A 347
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.86A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		8 / 11 PHE A 200
GLY A 307
TRP A 308
GLU A 349
ASP A 425
TYR A 482
ARG A 484
TRP A 582
 None
None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.84A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		9 / 11 PHE A 200
GLY A 307
TRP A 308
GLU A 349
MET A 422
TYR A 424
ASP A 425
TYR A 482
ARG A 484
 None
 0.59A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7B_C_ACTC513_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 TYR A 482
HIS A 438
ARG A 484
 None
 1.17A 4e7bC-4dwsA:
undetectable		 4e7bC-4dwsA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 PHE A 427
ASP A 454
ARG A 494
 None
None
MLZ  A 625 ( 3.9A)
 0.88A 4eahF-4dwsA:
undetectable		 4eahF-4dwsA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 PHE A 427
ASP A 454
ARG A 494
 None
None
MLZ  A 625 ( 3.9A)
 0.87A 4eahG-4dwsA:
undetectable		 4eahG-4dwsA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 LEU A 590
ASN A 593
LEU A 591
ALA A 592
THR A 609
 None
 1.23A 4fn9B-4dwsA:
undetectable		 4fn9B-4dwsA:
19.05
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.
4JTP_A_ASCA802_0
(RRNA N-GLYCOSIDASE)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 5 ILE A 419
ASN A 407
TYR A 369
ILE A 394
 None
MLZ  A 405 ( 4.7A)
None
None
 1.04A 4jtpA-4dwsA:
undetectable		 4jtpA-4dwsA:
18.82
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.
4QYN_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 ILE A 475
ALA A 460
THR A 439
VAL A 564
LEU A 477
 None
None
None
MLY  A 565 ( 3.2A)
None
 1.28A 4qynA-4dwsA:
undetectable		 4qynA-4dwsA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_B_SAMB303_1
(CATECHOL
O-METHYLTRANSFERASE)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 5 SER A 393
SER A 583
GLN A 586
ASP A 347
 None
GOL  A 701 ( 4.3A)
GOL  A 701 (-3.5A)
None
 1.47A 5fhrB-4dwsA:
undetectable		 5fhrB-4dwsA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 TRP A 308
GLU A 349
ASP A 425
 None
 0.61A 5gqbA-4dwsA:
36.8		 5gqbA-4dwsA:
29.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA603_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 8 PHE A 200
GLY A 307
TRP A 308
GLU A 349
ASP A 425
ARG A 484
TRP A 582
 None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.93A 5gqbA-4dwsA:
36.8		 5gqbA-4dwsA:
29.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA603_1
(CHITINASE)		 4dws CHI2
(Yersinia
entomophaga) 		7 / 8 PHE A 200
GLY A 307
TRP A 308
GLU A 349
TYR A 424
ASP A 425
ARG A 484
 None
 0.67A 5gqbA-4dwsA:
36.8		 5gqbA-4dwsA:
29.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW4_A_SAMA801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		 4dws CHI2
(Yersinia
entomophaga) 		5 / 12 ILE A 373
GLY A 415
PHE A 335
LEU A 372
VAL A 328
 None
 1.22A 5hw4A-4dwsA:
undetectable		 5hw4A-4dwsA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 THR A 132
SER A 130
TYR A 113
 MLZ  A 518 ( 4.6A)
None
None
 0.83A 5jsdA-4dwsA:
undetectable		 5jsdA-4dwsA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_B_1GNB618_1
(PHIAB6 TAILSPIKE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 THR A 132
SER A 130
TYR A 113
 MLZ  A 518 ( 4.6A)
None
None
 0.84A 5jsdB-4dwsA:
undetectable		 5jsdB-4dwsA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_C_1GNC608_1
(PHIAB6 TAILSPIKE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 THR A 132
SER A 130
TYR A 113
 MLZ  A 518 ( 4.6A)
None
None
 0.84A 5jsdC-4dwsA:
undetectable		 5jsdC-4dwsA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 THR A 132
SER A 130
TYR A 113
 MLZ  A 518 ( 4.6A)
None
None
 0.87A 5jseA-4dwsA:
undetectable		 5jseA-4dwsA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSE_B_1GNB611_1
(PHIAB6 TAILSPIKE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 THR A 132
SER A 130
TYR A 113
 MLZ  A 518 ( 4.6A)
None
None
 0.85A 5jseB-4dwsA:
undetectable		 5jseB-4dwsA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSE_C_1GNC611_1
(PHIAB6 TAILSPIKE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 THR A 132
SER A 130
TYR A 113
 MLZ  A 518 ( 4.6A)
None
None
 0.85A 5jseC-4dwsA:
undetectable		 5jseC-4dwsA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 7 ILE A 102
LEU A 591
THR A 192
ARG A 179
 None
None
None
GOL  A 701 (-3.5A)
 1.02A 5vc0A-4dwsA:
undetectable		 5vc0A-4dwsA:
21.54
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.
5ZW2_A_ACTA511_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 4dws CHI2
(Yersinia
entomophaga) 		3 / 3 ARG A 195
ILE A 197
SER A 154
 None
 0.88A 5zw2A-4dwsA:
undetectable		 5zw2A-4dwsA:
23.50