SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qi6'

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))		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
None
 0.87A 1c6yA-4qi6A:
undetectable		 1c6yA-4qi6A:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 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))		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 LEU A 489
ALA A 480
ILE A 258
ILE A 477
ILE A 488
 None
FAD  A 902 (-3.9A)
None
None
None
 0.97A 1c6yA-4qi6A:
undetectable		 1c6yA-4qi6A:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 SER A 485
ARG A 445
ILE A 494
LEU A 489
 None
 0.88A 1jg4A-4qi6A:
undetectable		 1jg4A-4qi6A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 ASP A 307
VAL A 640
SER A 641
ASP A 305
 None
 1.35A 1n2xB-4qi6A:
2.7		 1n2xB-4qi6A:
16.25
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.
1N49_B_RITB301_2
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
 0.96A 1n49B-4qi6A:
undetectable		 1n49B-4qi6A:
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.
1N49_B_RITB301_2
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 GLY A 481
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-4.2A)
None
None
None
 0.88A 1n49B-4qi6A:
undetectable		 1n49B-4qi6A:
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.
1N49_D_RITD401_1
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
 0.96A 1n49C-4qi6A:
undetectable		 1n49C-4qi6A:
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.
1N49_D_RITD401_1
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 GLY A 481
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-4.2A)
None
None
None
 0.89A 1n49C-4qi6A:
undetectable		 1n49C-4qi6A:
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.
1R15_C_NCAC439_0
(ADP-RIBOSYL CYCLASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.05A 1r15C-4qi6A:
undetectable		 1r15C-4qi6A:
15.47
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.
1R15_F_NCAF469_0
(ADP-RIBOSYL CYCLASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.05A 1r15F-4qi6A:
undetectable		 1r15F-4qi6A:
15.47
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.
1R15_G_NCAG479_0
(ADP-RIBOSYL CYCLASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.05A 1r15G-4qi6A:
undetectable		 1r15G-4qi6A:
15.47
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.
1R15_H_NCAH489_0
(ADP-RIBOSYL CYCLASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 333
PHE A 337
TRP A 341
 None
 1.04A 1r15H-4qi6A:
undetectable		 1r15H-4qi6A:
15.47
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.
1RBP_A_RTLA183_0
(PLASMA
RETINOL-BINDING
PROTEIN PRECURSOR)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 436
LEU A 257
ALA A 244
ALA A 757
VAL A 434
 NAG  A 904 ( 4.5A)
None
None
None
None
 1.32A 1rbpA-4qi6A:
undetectable		 1rbpA-4qi6A:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 ASP A 712
ARG A 714
ASP A 722
 None
 0.78A 1vptA-4qi6A:
undetectable		 1vptA-4qi6A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 SER A 264
ALA A 263
THR A 265
ASN A 267
 None
 0.94A 1yvpB-4qi6A:
undetectable		 1yvpB-4qi6A:
21.27
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 ARG A 629
GLY A 495
THR A 705
VAL A 524
MET A 630
 None
 1.39A 1z35A-4qi6A:
undetectable		 1z35A-4qi6A:
15.56
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.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASN A 292
PHE A 548
ASN A 610
ASP A 547
 None
 1.08A 1zzuA-4qi6A:
undetectable		 1zzuA-4qi6A:
19.51
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.
2A3A_A_TEPA1434_1
(CHITINASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 325
THR A 421
TYR A 422
 None
 0.70A 2a3aA-4qi6A:
undetectable		 2a3aA-4qi6A:
20.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 325
THR A 421
TYR A 422
 None
 0.69A 2a3aB-4qi6A:
undetectable		 2a3aB-4qi6A:
20.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TRP A 325
THR A 421
TYR A 422
 None
 0.74A 2a3bA-4qi6A:
undetectable		 2a3bA-4qi6A:
20.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 4 LEU A 528
SER A 693
ASP A 307
ASP A 305
 None
 1.14A 2br4B-4qi6A:
undetectable		 2br4B-4qi6A:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 PHE A 458
ARG A 459
GLY A 311
GLY A 315
ALA A 319
 None
 1.15A 2ej3B-4qi6A:
undetectable		 2ej3B-4qi6A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 THR A 730
GLY A 447
THR A 451
ILE A 450
 None
 0.85A 2f9wA-4qi6A:
undetectable
2f9wB-4qi6A:
undetectable		 2f9wA-4qi6A:
17.48
2f9wB-4qi6A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 7 TYR A  54
GLU A  24
HIS A 122
GLY A  31
 None
 1.24A 2ha4B-4qi6A:
undetectable		 2ha4B-4qi6A:
22.96
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 7 SER A 264
ALA A 263
THR A 265
ASN A 267
 None
 1.05A 2i91A-4qi6A:
undetectable		 2i91A-4qi6A:
21.27
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.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 7 SER A 264
ALA A 263
THR A 265
ASN A 267
 None
 1.05A 2i91B-4qi6A:
undetectable		 2i91B-4qi6A:
21.27
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.
2NMY_A_ROCA401_2
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.87A 2nmyB-4qi6A:
undetectable		 2nmyB-4qi6A:
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.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 596
LEU A 620
ILE A 660
SER A 626
VAL A 687
 None
 1.18A 2po7A-4qi6A:
2.1		 2po7A-4qi6A:
17.68
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.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.94A 2wa2B-4qi6A:
2.1		 2wa2B-4qi6A:
16.15
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.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 SER A 506
GLY A 510
GLY A 493
LEU A 489
THR A 730
 None
 0.93A 2wa2B-4qi6A:
2.1		 2wa2B-4qi6A:
16.15
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A 750
GLY A 238
GLY A 240
ASP A 737
LEU A 314
 FAD  A 902 (-3.7A)
FAD  A 902 (-3.1A)
FAD  A 902 (-4.2A)
FAD  A 902 (-4.8A)
None
 0.98A 2zw9B-4qi6A:
undetectable		 2zw9B-4qi6A:
20.60
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 240
GLY A 238
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
FAD  A 902 (-4.2A)
FAD  A 902 (-3.1A)
FAD  A 902 (-4.8A)
None
 0.95A 3eluA-4qi6A:
2.1		 3eluA-4qi6A:
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.85A 3eluA-4qi6A:
2.1		 3eluA-4qi6A:
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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.85A 3elwA-4qi6A:
2.3		 3elwA-4qi6A:
18.05
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.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 240
GLY A 238
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
FAD  A 902 (-4.2A)
FAD  A 902 (-3.1A)
FAD  A 902 (-4.8A)
None
 0.98A 3embA-4qi6A:
2.3		 3embA-4qi6A:
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.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.88A 3embA-4qi6A:
2.3		 3embA-4qi6A:
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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 240
GLY A 238
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
FAD  A 902 (-4.2A)
FAD  A 902 (-3.1A)
FAD  A 902 (-4.8A)
None
 1.02A 3gczA-4qi6A:
2.3		 3gczA-4qi6A:
15.38
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.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.87A 3gczA-4qi6A:
2.3		 3gczA-4qi6A:
15.38
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.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A  98
THR A 306
PHE A  95
SER A  77
ASP A 305
 None
 1.30A 3iv6D-4qi6A:
2.1		 3iv6D-4qi6A:
16.90
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASN A 292
PHE A 548
ASN A 610
ASP A 547
 None
 1.07A 3n62A-4qi6A:
undetectable		 3n62A-4qi6A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 ASN A 292
PHE A 548
ASN A 610
ASP A 547
 None
 1.07A 3n62B-4qi6A:
undetectable		 3n62B-4qi6A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_D_ROCD100_1
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.84A 3ndtC-4qi6A:
undetectable		 3ndtC-4qi6A:
8.25
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.
3NDU_A_ROCA101_1
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.84A 3nduA-4qi6A:
undetectable		 3nduA-4qi6A:
8.25
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.
3NDU_A_ROCA101_2
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.87A 3nduB-4qi6A:
undetectable		 3nduB-4qi6A:
8.25
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.
3NUJ_B_478B401_2
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 9 LEU A 489
GLY A 481
ALA A 480
ILE A 477
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.93A 3nujB-4qi6A:
undetectable		 3nujB-4qi6A:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.90A 3oxcB-4qi6A:
undetectable		 3oxcB-4qi6A:
8.29
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.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 PHE A  35
PHE A  33
ALA A  82
THR A  91
 None
 1.17A 3t3sB-4qi6A:
undetectable		 3t3sB-4qi6A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_B_ROCB801_1
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.84A 3tkgA-4qi6A:
undetectable		 3tkgA-4qi6A:
8.38
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.
3TKG_C_ROCC901_2
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
 0.80A 3tkgD-4qi6A:
undetectable		 3tkgD-4qi6A:
8.38
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.
3TKG_C_ROCC901_2
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 489
GLY A 481
ALA A 480
ILE A 258
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.95A 3tkgD-4qi6A:
undetectable		 3tkgD-4qi6A:
8.38
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 GLY A 316
GLY A 317
ASN A 321
GLU A 259
 FAD  A 902 (-3.1A)
FAD  A 902 (-3.4A)
FAD  A 902 (-4.2A)
FAD  A 902 (-2.8A)
 1.21A 4fglC-4qi6A:
undetectable		 4fglC-4qi6A:
14.53
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 LEU A 125
ALA A 203
ILE A  80
GLY A  53
GLY A  36
 None
 0.98A 4hfpB-4qi6A:
undetectable		 4hfpB-4qi6A:
14.27
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.
4KF9_A_ACTA408_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 TYR A  99
THR A  75
PRO A  73
ARG A 698
 HEM  A 901 (-4.0A)
None
HEM  A 901 ( 4.8A)
HEM  A 901 (-3.8A)
 1.11A 4kf9A-4qi6A:
undetectable		 4kf9A-4qi6A:
18.07
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.
4KHP_A_PARA1606_1
(16S RIBOSOMAL RNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 TYR A 619
ARG A 601
SER A 617
 None
 0.98A 4khpI-4qi6A:
undetectable
4khpJ-4qi6A:
undetectable		 4khpI-4qi6A:
9.29
4khpJ-4qi6A:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_D_RITD500_1
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 GLY A 481
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-4.2A)
None
None
None
 0.98A 4njvC-4qi6A:
undetectable		 4njvC-4qi6A:
8.29
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 SER A 364
GLY A 413
ALA A 551
GLY A 289
TYR A 546
 None
 1.09A 4r29A-4qi6A:
undetectable		 4r29A-4qi6A:
12.84
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 SER A 364
GLY A 413
ALA A 551
GLY A 289
TYR A 546
 None
 1.05A 4r29B-4qi6A:
undetectable		 4r29B-4qi6A:
12.84
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.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 9 LEU A 489
GLY A 481
ALA A 480
ILE A 477
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.92A 4rvjB-4qi6A:
undetectable		 4rvjB-4qi6A:
8.29
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.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 9 LEU A 489
GLY A 481
ALA A 480
ILE A 477
ILE A 488
 None
FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
None
None
 0.92A 4rvjD-4qi6A:
undetectable		 4rvjD-4qi6A:
8.29
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.
4YSH_B_GLYB401_0
(GLYCINE OXIDASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 PHE A 403
LYS A 380
GLY A 381
ALA A 665
 None
 1.30A 4yshB-4qi6A:
11.4		 4yshB-4qi6A:
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 447
GLY A 448
THR A 730
ILE A 450
ILE A 514
 None
 1.16A 4zvmA-4qi6A:
undetectable
4zvmB-4qi6A:
2.6		 4zvmA-4qi6A:
14.10
4zvmB-4qi6A:
14.10
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.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 1.03A 5ehiA-4qi6A:
2.3		 5ehiA-4qi6A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 1.00A 5ehiC-4qi6A:
2.2		 5ehiC-4qi6A:
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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 TYR A 549
GLY A 604
GLU A 603
ASP A 535
 None
 1.27A 5emlA-4qi6A:
undetectable		 5emlA-4qi6A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 11 ASP A 361
PHE A 326
ILE A 578
PHE A 375
PHE A 408
 None
 1.28A 5huaA-4qi6A:
undetectable		 5huaA-4qi6A:
9.27
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ILE A 740
ASN A 706
GLU A 758
ALA A 480
ILE A 764
 None
None
None
FAD  A 902 (-3.9A)
None
 1.24A 5igyA-4qi6A:
1.5		 5igyA-4qi6A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ILE A 740
ASN A 706
GLU A 758
ALA A 480
ILE A 764
 None
None
None
FAD  A 902 (-3.9A)
None
 1.25A 5ih0A-4qi6A:
1.2		 5ih0A-4qi6A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 316
GLY A 315
ALA A 263
PHE A 423
GLY A 236
 FAD  A 902 (-3.1A)
None
None
None
FAD  A 902 (-3.5A)
 0.90A 5kb5A-4qi6A:
2.7		 5kb5A-4qi6A:
18.56
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.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 THR A 746
HIS A 531
ASN A 748
 None
None
FAD  A 902 (-4.5A)
 0.87A 5n4tA-4qi6A:
undetectable		 5n4tA-4qi6A:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.89A 5njvD-4qi6A:
undetectable		 5njvD-4qi6A:
15.76
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.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ALA A 263
LEU A 419
ILE A 242
VAL A 434
PHE A 432
 None
 1.34A 5vlmB-4qi6A:
undetectable		 5vlmB-4qi6A:
12.27
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ALA A 263
LEU A 419
ILE A 242
VAL A 434
PHE A 432
 None
 1.38A 5vlmE-4qi6A:
undetectable		 5vlmE-4qi6A:
12.27
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.
5VLM_F_CVIF301_0
(REGULATORY PROTEIN
TETR)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ALA A 504
GLY A 510
SER A 506
GLU A 507
LEU A 636
 None
 1.30A 5vlmF-4qi6A:
undetectable		 5vlmF-4qi6A:
12.27
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.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 TYR A 728
ARG A 726
THR A 725
LEU A 708
 None
 1.39A 5wauJ-4qi6A:
undetectable		 5wauJ-4qi6A:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 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_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 TYR A 728
ARG A 726
THR A 725
LEU A 708
 None
 1.39A 5x19J-4qi6A:
undetectable		 5x19J-4qi6A:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 4 TYR A 728
ARG A 726
THR A 725
LEU A 708
 None
 1.49A 5x19W-4qi6A:
0.0		 5x19W-4qi6A:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CM4_A_8NUA2001_0
(D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 VAL A 537
THR A 613
SER A 605
TYR A 619
THR A 599
 None
 1.34A 6cm4A-4qi6A:
undetectable		 6cm4A-4qi6A:
19.78
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.
6DH3_A_017A101_0
(PROTEASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 GLY A 481
ALA A 480
VAL A 440
ILE A 477
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
 0.94A 6dh3A-4qi6A:
undetectable		 6dh3A-4qi6A:
7.41
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 TYR A  90
ASP A 210
GLN A 170
THR A  88
 None
 1.30A 6djzA-4qi6A:
undetectable		 6djzA-4qi6A:
15.76
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 GLY A 474
THR A 473
HIS A 449
SER A 787
 None
 1.13A 6jmjA-4qi6A:
undetectable		 6jmjA-4qi6A:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		 4qi6 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		3 / 3 ASP A  12
SER A 124
SER A 117
 None
 0.75A 6mxtA-4qi6A:
undetectable		 6mxtA-4qi6A:
20.98