SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qi4'

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.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 901 (-3.5A)
FAD  A 901 (-4.1A)
None
None
None
 0.88A 1c6yA-4qi4A:
undetectable		 1c6yA-4qi4A:
10.60
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.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 LEU A 489
ALA A 480
ILE A 258
ILE A 477
ILE A 488
 None
FAD  A 901 (-3.5A)
None
None
None
 0.95A 1c6yA-4qi4A:
undetectable		 1c6yA-4qi4A:
10.60
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.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASP A 651
ASP A 648
ARG A 622
THR A 625
 None
 1.47A 1ceaA-4qi4A:
undetectable
1ceaB-4qi4A:
undetectable		 1ceaA-4qi4A:
10.05
1ceaB-4qi4A:
10.05
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.
1JG4_A_SAMA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 SER A 485
ARG A 445
ILE A 494
LEU A 489
 None
 0.84A 1jg4A-4qi4A:
2.6		 1jg4A-4qi4A:
16.75
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.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 ASP A 307
VAL A 640
SER A 641
ASP A 305
 None
 1.35A 1n2xB-4qi4A:
undetectable		 1n2xB-4qi4A:
18.64
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.
1N49_B_RITB301_2
(PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		6 / 11 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
FAD  A 901 (-4.1A)
None
None
None
 1.07A 1n49B-4qi4A:
undetectable		 1n49B-4qi4A:
10.60
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.
1N49_D_RITD401_1
(PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		6 / 11 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
FAD  A 901 (-4.1A)
None
None
None
 1.07A 1n49C-4qi4A:
undetectable		 1n49C-4qi4A:
10.60
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.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASN A 292
PHE A 548
ASN A 610
ASP A 547
 CD  A 909 (-4.6A)
None
None
None
 1.21A 1p6kA-4qi4A:
undetectable		 1p6kA-4qi4A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC439_0
(ADP-RIBOSYL CYCLASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.03A 1r15C-4qi4A:
undetectable		 1r15C-4qi4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_F_NCAF469_0
(ADP-RIBOSYL CYCLASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.02A 1r15F-4qi4A:
undetectable		 1r15F-4qi4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_G_NCAG479_0
(ADP-RIBOSYL CYCLASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.02A 1r15G-4qi4A:
undetectable		 1r15G-4qi4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_H_NCAH489_0
(ADP-RIBOSYL CYCLASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.01A 1r15H-4qi4A:
undetectable		 1r15H-4qi4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 256
VAL A 440
ILE A 488
SER A 492
LEU A 733
 None
FAD  A 901 (-4.1A)
None
None
None
 1.16A 1s19A-4qi4A:
undetectable		 1s19A-4qi4A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_B_CHDB1131_0
(FATTY ACID-BINDING
PROTEIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 LEU A 522
ASN A 732
ILE A 450
THR A 730
VAL A 453
 None
 1.40A 1tw4B-4qi4A:
0.9		 1tw4B-4qi4A:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VPT_A_SAMA400_1
(VP39)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 ASP A 712
ARG A 714
ASP A 722
 None
 0.87A 1vptA-4qi4A:
undetectable		 1vptA-4qi4A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 SER A 264
ALA A 263
THR A 265
ASN A 267
 None
 0.90A 1yvpB-4qi4A:
2.3		 1yvpB-4qi4A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASN A 292
PHE A 548
ASN A 610
ASP A 547
 CD  A 909 (-4.6A)
None
None
None
 1.19A 1zzuA-4qi4A:
undetectable		 1zzuA-4qi4A:
20.78
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.
2A3A_A_TEPA1434_1
(CHITINASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 325
THR A 421
TYR A 422
 None
 0.64A 2a3aA-4qi4A:
undetectable		 2a3aA-4qi4A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 325
THR A 421
TYR A 422
 None
 0.62A 2a3aB-4qi4A:
undetectable		 2a3aB-4qi4A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1434_1
(CHITINASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 325
THR A 421
TYR A 422
 None
 0.67A 2a3bA-4qi4A:
undetectable		 2a3bA-4qi4A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_B_SAMB301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 4 LEU A 528
SER A 693
ASP A 307
ASP A 305
 None
 1.11A 2br4B-4qi4A:
3.0		 2br4B-4qi4A:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 THR A 730
GLY A 447
THR A 451
ILE A 450
 None
 0.84A 2f9wA-4qi4A:
undetectable
2f9wB-4qi4A:
undetectable		 2f9wA-4qi4A:
19.00
2f9wB-4qi4A:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 7 SER A 264
ALA A 263
THR A 265
ASN A 267
 None
 1.03A 2i91A-4qi4A:
undetectable		 2i91A-4qi4A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 7 SER A 264
ALA A 263
THR A 265
ASN A 267
 None
 1.03A 2i91B-4qi4A:
undetectable		 2i91B-4qi4A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VOU_A_ACTA1397_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 PRO A 288
GLY A 413
TYR A 563
 None
 0.72A 2vouA-4qi4A:
5.5		 2vouA-4qi4A:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VOU_C_ACTC1391_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 PRO A 288
GLY A 413
TYR A 563
 None
 0.72A 2vouC-4qi4A:
5.1		 2vouC-4qi4A:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.92A 2wa2B-4qi4A:
2.5		 2wa2B-4qi4A:
19.29
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.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 SER A 506
GLY A 510
GLY A 493
LEU A 489
THR A 730
 None
 0.92A 2wa2B-4qi4A:
2.5		 2wa2B-4qi4A:
19.29
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.
3ARU_A_PNXA608_1
(CHITINASE A)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 TRP A 341
SER A 762
ALA A 766
ASP A 724
 None
 1.39A 3aruA-4qi4A:
undetectable		 3aruA-4qi4A:
24.61
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.
3DOU_A_SAMA1_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 315
PRO A 243
GLY A 241
GLY A 240
ALA A 319
 None
None
None
FAD  A 901 (-3.9A)
None
 0.92A 3douA-4qi4A:
undetectable		 3douA-4qi4A:
16.07
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 240
GLY A 238
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
FAD  A 901 (-3.9A)
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 1.06A 3eluA-4qi4A:
2.5		 3eluA-4qi4A:
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.
3ELW_A_SAMA4633_0
(METHYLTRANSFERASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.81A 3elwA-4qi4A:
2.6		 3elwA-4qi4A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.82A 3embA-4qi4A:
2.6		 3embA-4qi4A:
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.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.83A 3gczA-4qi4A:
2.6		 3gczA-4qi4A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ASP A 651
ASP A 648
ASP A 590
TYR A 335
LEU A 331
 None
 1.30A 3lmyA-4qi4A:
undetectable		 3lmyA-4qi4A:
20.69
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASN A 292
PHE A 548
ASN A 610
ASP A 547
 CD  A 909 (-4.6A)
None
None
None
 1.18A 3n62A-4qi4A:
undetectable		 3n62A-4qi4A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASN A 292
PHE A 548
ASN A 610
ASP A 547
 CD  A 909 (-4.6A)
None
None
None
 1.16A 3n62B-4qi4A:
undetectable		 3n62B-4qi4A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU6_B_478B401_2
(PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 LEU A 489
GLY A 481
ALA A 480
ILE A 477
ILE A 488
 None
FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
None
None
 0.92A 3nu6B-4qi4A:
undetectable		 3nu6B-4qi4A:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXC_A_ROCA401_3
(PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
None
None
 0.96A 3oxcB-4qi4A:
undetectable		 3oxcB-4qi4A:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_2
(PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 477
ILE A 488
 None
FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
None
None
 0.97A 3pwmB-4qi4A:
undetectable		 3pwmB-4qi4A:
9.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 ALA A 738
ASP A 737
GLY A 238
ALA A 239
THR A 318
 FAD  A 901 (-3.4A)
FAD  A 901 (-4.3A)
FAD  A 901 (-3.3A)
FAD  A 901 (-3.1A)
None
 1.18A 3rukD-4qi4A:
undetectable		 3rukD-4qi4A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S43_A_478A401_2
(PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 LEU A 489
GLY A 481
ALA A 480
ILE A 477
ILE A 488
 None
FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
None
None
 0.99A 3s43B-4qi4A:
undetectable		 3s43B-4qi4A:
10.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 PRO A 418
TYR A 752
VAL A 755
THR A 318
 None
 1.15A 3tneA-4qi4A:
undetectable		 3tneA-4qi4A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A3P_A_ACTA1223_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 ASP A 281
THR A 283
LEU A 282
GLU A 414
 None
 1.20A 4a3pA-4qi4A:
undetectable		 4a3pA-4qi4A:
17.05
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 GLY A 316
GLY A 317
ASN A 321
GLU A 259
 FAD  A 901 (-3.3A)
FAD  A 901 (-3.4A)
FAD  A 901 (-3.9A)
FAD  A 901 (-2.8A)
 1.23A 4fglC-4qi4A:
2.1		 4fglC-4qi4A:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIM_A_CELA711_1
(LACTOTRANSFERRIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 9 GLU A 454
GLY A 465
VAL A 224
PRO A 223
GLY A 461
 None
None
None
None
NAG  A 904 (-3.3A)
 1.31A 4fimA-4qi4A:
undetectable		 4fimA-4qi4A:
20.34
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.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 7 GLY A 658
ILE A 660
ASN A 664
GLN A 595
 None
 1.06A 4g0vA-4qi4A:
undetectable		 4g0vA-4qi4A:
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.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LYS A 427
LEU A 314
LEU A 436
GLY A 270
SER A 264
 None
 0.90A 4lmnA-4qi4A:
undetectable		 4lmnA-4qi4A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 786
GLY A 447
PHE A 788
GLU A 797
TYR A 798
 None
 1.20A 4r29C-4qi4A:
undetectable		 4r29C-4qi4A:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B6I_A_ADNA302_1
(FLUORINASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 7 THR A 750
TYR A 752
PRO A 749
THR A 747
 FAD  A 901 (-3.5A)
None
FAD  A 901 (-3.9A)
None
 1.37A 5b6iA-4qi4A:
undetectable		 5b6iA-4qi4A:
20.86
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.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 TYR A 798
GLY A 448
ILE A 450
TRP A 519
VAL A 443
 None
 1.03A 5dpdB-4qi4A:
undetectable		 5dpdB-4qi4A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 1.03A 5ehiA-4qi4A:
2.5		 5ehiA-4qi4A:
20.76
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.
5EHI_C_SAMC4000_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.99A 5ehiC-4qi4A:
2.5		 5ehiC-4qi4A:
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 TYR A 549
GLY A 604
GLU A 603
ASP A 535
 None
 1.34A 5emlA-4qi4A:
undetectable		 5emlA-4qi4A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 VAL A 643
SER A 695
MET A 309
 None
None
FAD  A 901 ( 4.9A)
 0.93A 5ikqA-4qi4A:
undetectable		 5ikqA-4qi4A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 SER A 605
ASP A 535
TYR A 686
SER A 539
 None
 1.13A 5l1fA-4qi4A:
undetectable
5l1fB-4qi4A:
undetectable		 5l1fA-4qi4A:
21.90
5l1fB-4qi4A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 THR A 746
HIS A 531
ASN A 748
 None
None
FAD  A 901 (-4.2A)
 0.84A 5n4tA-4qi4A:
undetectable		 5n4tA-4qi4A:
20.04
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.
5NJV_D_SAMD301_0
(NS5)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.89A 5njvD-4qi4A:
undetectable		 5njvD-4qi4A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 ILE A 639
LEU A 636
VAL A 502
SER A 635
GLU A 507
 None
 1.40A 5tixB-4qi4A:
1.5		 5tixB-4qi4A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 SER A 479
GLY A 420
ILE A 736
ALA A 756
GLY A 417
 None
 1.04A 5veuH-4qi4A:
undetectable		 5veuH-4qi4A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ALA A 263
LEU A 419
ILE A 242
VAL A 434
PHE A 432
 None
 1.22A 5vlmB-4qi4A:
undetectable		 5vlmB-4qi4A:
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ALA A 263
LEU A 419
ILE A 242
VAL A 434
PHE A 432
 None
 1.25A 5vlmE-4qi4A:
undetectable		 5vlmE-4qi4A:
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.
5VLM_F_CVIF301_0
(REGULATORY PROTEIN
TETR)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ALA A 504
GLY A 510
SER A 506
GLU A 507
LEU A 636
 None
 1.43A 5vlmF-4qi4A:
undetectable		 5vlmF-4qi4A:
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.
5X19_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 4 TYR A 728
ARG A 726
THR A 725
LEU A 708
 None
 1.41A 5x19W-4qi4A:
0.0		 5x19W-4qi4A:
8.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 PHE A 230
ILE A 233
PRO A 457
THR A 438
 None
 1.18A 5x23A-4qi4A:
undetectable		 5x23A-4qi4A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 TYR A 728
ARG A 726
THR A 725
LEU A 708
 None
 1.42A 5z86J-4qi4A:
undetectable		 5z86J-4qi4A:
8.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
ALA A 480
ILE A 258
ILE A 477
ILE A 488
 None
FAD  A 901 (-3.5A)
None
None
None
 0.99A 6difA-4qi4A:
undetectable		 6difA-4qi4A:
8.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 VAL A 313
LEU A 272
ASP A 297
ALA A 319
LEU A 419
 None
NAG  A 905 ( 4.4A)
None
None
None
 1.38A 6dk1B-4qi4A:
undetectable		 6dk1B-4qi4A:
18.47
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.
6FGD_A_ACTA821_0
(GEPHYRIN)		 4qi4 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 ARG A 445
PHE A 788
GLY A 447
 None
 0.75A 6fgdA-4qi4A:
2.7		 6fgdA-4qi4A:
21.52