SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3q9t'

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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 8 HIS A 417
THR A 411
GLY A 402
ASP A 324
 None
 0.80A 1aegA-3q9tA:
undetectable		 1aegA-3q9tA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 8 GLU A 367
ASP A 369
PRO A 384
LEU A 458
 None
 0.92A 1hmyA-3q9tA:
undetectable		 1hmyA-3q9tA:
19.45
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.
1SBR_A_VIBA501_1
(YKOF)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 8 PHE A 213
SER A 212
LEU A 214
ILE A 158
 None
 0.94A 1sbrA-3q9tA:
undetectable		 1sbrA-3q9tA:
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.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 10 GLY A 310
ASP A 459
ILE A 460
GLY A 466
ALA A 503
 None
 0.97A 1sh9B-3q9tA:
undetectable		 1sh9B-3q9tA:
14.29
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.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 11 GLY A 282
VAL A 301
GLU A 433
HIS A 290
ARG A 289
 None
 1.35A 2ac7A-3q9tA:
undetectable
2ac7B-3q9tA:
undetectable		 2ac7A-3q9tA:
19.68
2ac7B-3q9tA:
19.68
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.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 11 HIS A 290
ARG A 289
GLY A 282
VAL A 301
GLU A 433
 None
 1.34A 2ac7A-3q9tA:
undetectable
2ac7B-3q9tA:
undetectable		 2ac7A-3q9tA:
19.68
2ac7B-3q9tA:
19.68
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 GLY A 280
ASP A 297
GLY A 537
ALA A 518
VAL A 301
 None
 1.06A 2b7zB-3q9tA:
undetectable		 2b7zB-3q9tA:
11.56
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 LEU A 185
LEU A 197
GLU A 355
LEU A 356
ARG A 171
 None
 1.08A 2bxfA-3q9tA:
undetectable		 2bxfA-3q9tA:
22.48
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.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 11 THR A  21
ALA A  23
SER A 210
GLY A 211
SER A 133
 None
 1.15A 2f162-3q9tA:
undetectable		 2f162-3q9tA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 11 THR A  21
ALA A  23
SER A 210
GLY A 211
SER A 133
 None
 1.15A 2f16N-3q9tA:
undetectable		 2f16N-3q9tA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 6 LEU A 494
VAL A  73
VAL A 311
ILE A 460
 MRD  A 581 ( 4.9A)
None
None
None
 0.90A 2hyyA-3q9tA:
undetectable		 2hyyA-3q9tA:
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.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 SER A  94
GLY A  88
GLY A 268
TRP A  66
THR A 272
 FAY  A 600 (-2.9A)
None
FAY  A 600 (-3.5A)
FAY  A 600 (-4.0A)
None
 0.97A 3gczA-3q9tA:
2.3		 3gczA-3q9tA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 LEU A 505
CYH A 508
VAL A 311
GLY A 310
ILE A 461
 None
 1.11A 3ijdB-3q9tA:
undetectable		 3ijdB-3q9tA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 PHE A 512
PRO A  84
THR A  86
ILE A  50
LEU A  59
 FAY  A 600 (-3.6A)
None
FAY  A 600 (-4.4A)
None
None
 1.15A 3iv6A-3q9tA:
2.0		 3iv6A-3q9tA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 PHE A 512
PRO A  84
THR A  86
ILE A  50
LEU A  59
 FAY  A 600 (-3.6A)
None
FAY  A 600 (-4.4A)
None
None
 1.17A 3iv6C-3q9tA:
2.0		 3iv6C-3q9tA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 5 SER A  95
ARG A  25
GLY A  24
GLU A  28
 None
 1.09A 3k9fA-3q9tA:
undetectable
3k9fB-3q9tA:
undetectable
3k9fC-3q9tA:
undetectable		 3k9fA-3q9tA:
21.90
3k9fB-3q9tA:
21.90
3k9fC-3q9tA:
17.58
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 6 SER A  95
ARG A  25
GLY A  24
GLU A  28
 None
 1.09A 3k9fA-3q9tA:
undetectable
3k9fB-3q9tA:
undetectable
3k9fD-3q9tA:
undetectable		 3k9fA-3q9tA:
21.90
3k9fB-3q9tA:
21.90
3k9fD-3q9tA:
17.58
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.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 THR A  21
ALA A  23
SER A 210
GLY A 211
SER A 133
 None
 1.10A 3mg02-3q9tA:
undetectable
3mg0V-3q9tA:
undetectable		 3mg02-3q9tA:
14.36
3mg0V-3q9tA:
17.97
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.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 11 THR A  21
ALA A  23
SER A 210
GLY A 211
SER A 133
 None
 1.10A 3mg0N-3q9tA:
undetectable		 3mg0N-3q9tA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 ASP A 545
ILE A 552
PRO A 553
LEU A 305
THR A 272
 FAY  A 600 (-4.5A)
None
None
None
None
 0.98A 3nrrA-3q9tA:
undetectable		 3nrrA-3q9tA:
22.76
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.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 ASP A 545
ILE A 552
PRO A 553
LEU A 305
THR A 272
 FAY  A 600 (-4.5A)
None
None
None
None
 0.98A 3nrrB-3q9tA:
undetectable		 3nrrB-3q9tA:
22.76
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.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 10 ASP A 239
GLY A 244
VAL A 245
VAL A 535
ILE A 538
 None
 1.03A 3oxvB-3q9tA:
undetectable		 3oxvB-3q9tA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 11 ASP A 239
GLY A 244
VAL A 245
VAL A 535
ILE A 538
 None
 1.05A 3oxvD-3q9tA:
undetectable		 3oxvD-3q9tA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 11 VAL A 296
ILE A 524
GLY A 527
PRO A 283
ILE A 281
 None
 1.05A 3oxvD-3q9tA:
undetectable		 3oxvD-3q9tA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 10 ASP A 239
GLY A 244
VAL A 245
VAL A 535
ILE A 538
 None
 1.04A 3oxwD-3q9tA:
undetectable		 3oxwD-3q9tA:
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.
3Q1E_D_T44D328_1
(5-HYDROXYISOURATE
HYDROLASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 9 LEU A 474
LEU A 473
THR A 175
LEU A 356
LEU A 197
 None
 1.36A 3q1eB-3q9tA:
undetectable
3q1eD-3q9tA:
undetectable		 3q1eB-3q9tA:
12.84
3q1eD-3q9tA:
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.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 7 PHE A 170
PHE A 480
ALA A 177
LEU A 197
 None
 1.11A 3t3sC-3q9tA:
undetectable		 3t3sC-3q9tA:
21.29
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 SER A 133
ILE A 156
THR A  90
ALA A 563
ALA A 544
 None
 1.33A 3ua1A-3q9tA:
undetectable		 3ua1A-3q9tA:
22.47
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.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 7 TRP A 490
TYR A 488
VAL A 314
PHE A 401
 None
 0.98A 3zjqB-3q9tA:
undetectable		 3zjqB-3q9tA:
16.55
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.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 9 GLY A  16
GLY A  19
SER A  96
GLY A  92
TYR A 562
 FAY  A 600 (-3.2A)
None
None
None
None
 1.32A 3ztvA-3q9tA:
undetectable		 3ztvA-3q9tA:
21.96
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.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 9 GLY A  16
GLY A  19
SER A  96
GLY A  93
TYR A 562
 FAY  A 600 (-3.2A)
None
None
FAY  A 600 (-3.2A)
None
 0.89A 3ztvA-3q9tA:
undetectable		 3ztvA-3q9tA:
21.96
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.
4A97_C_ZPCC1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 PHE A 454
VAL A 504
ILE A 467
GLU A 371
VAL A 422
 None
 1.04A 4a97B-3q9tA:
undetectable
4a97C-3q9tA:
undetectable		 4a97B-3q9tA:
20.80
4a97C-3q9tA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 6 GLY A  92
ALA A  39
GLU A  38
GLN A 558
 None
FAY  A 600 (-3.3A)
FAY  A 600 (-2.6A)
FAY  A 600 (-4.1A)
 1.11A 4g0uA-3q9tA:
undetectable		 4g0uA-3q9tA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 VAL A  37
ALA A  39
TRP A  66
LEU A 233
VAL A  13
 None
FAY  A 600 (-3.3A)
FAY  A 600 (-4.0A)
None
None
 1.19A 4kyaB-3q9tA:
undetectable		 4kyaB-3q9tA:
22.62
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 VAL A  37
ALA A  39
TRP A  66
LEU A 233
VAL A  13
 None
FAY  A 600 (-3.3A)
FAY  A 600 (-4.0A)
None
None
 1.17A 4kyaD-3q9tA:
undetectable		 4kyaD-3q9tA:
22.62
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 VAL A  37
ALA A  39
TRP A  66
LEU A 233
VAL A  13
 None
FAY  A 600 (-3.3A)
FAY  A 600 (-4.0A)
None
None
 1.18A 4kyaF-3q9tA:
undetectable		 4kyaF-3q9tA:
22.62
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 VAL A  37
ALA A  39
TRP A  66
LEU A 233
VAL A  13
 None
FAY  A 600 (-3.3A)
FAY  A 600 (-4.0A)
None
None
 1.17A 4kyaH-3q9tA:
undetectable		 4kyaH-3q9tA:
22.62
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.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 8 GLU A 271
GLN A 267
VAL A 245
THR A 246
 ACT  A   1 ( 2.8A)
FAY  A 600 (-3.2A)
None
None
 1.04A 4lnwA-3q9tA:
undetectable		 4lnwA-3q9tA:
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.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 6 GLU A 271
GLN A 267
VAL A 245
THR A 246
 ACT  A   1 ( 2.8A)
FAY  A 600 (-3.2A)
None
None
 1.05A 4lnxA-3q9tA:
undetectable		 4lnxA-3q9tA:
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.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 LEU A  26
VAL A  22
ILE A  12
GLU A 262
ALA A 259
 None
 1.00A 4ltwA-3q9tA:
undetectable		 4ltwA-3q9tA:
17.82
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		3 / 3 SER A 486
ARG A 316
HIS A 417
 None
 1.02A 4mjwA-3q9tA:
45.3
4mjwB-3q9tA:
45.2		 4mjwA-3q9tA:
29.76
4mjwB-3q9tA:
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.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 VAL A 504
SER A 470
GLY A 310
ASP A 423
GLY A 466
 None
 1.20A 4pevB-3q9tA:
undetectable		 4pevB-3q9tA:
23.30
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.
5AQF_A_ADNA1382_1
(HEAT SHOCK COGNATE
71 KDA PROTEIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 10 GLY A  93
GLY A  16
SER A 133
GLY A 211
SER A 212
 FAY  A 600 (-3.2A)
FAY  A 600 (-3.2A)
None
None
None
 1.02A 5aqfA-3q9tA:
undetectable		 5aqfA-3q9tA:
22.03
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.
5AQF_C_ADNC1382_1
(HEAT SHOCK COGNATE
71 KDA PROTEIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 10 GLY A  93
GLY A  16
SER A 133
GLY A 211
SER A 212
 FAY  A 600 (-3.2A)
FAY  A 600 (-3.2A)
None
None
None
 1.03A 5aqfC-3q9tA:
undetectable		 5aqfC-3q9tA:
22.03
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.
5AQY_A_ADNA1389_1
(HEAT SHOCK 70 KDA
PROTEIN 1A)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 10 GLY A  93
GLY A  16
SER A 133
GLY A 211
SER A 212
 FAY  A 600 (-3.2A)
FAY  A 600 (-3.2A)
None
None
None
 0.99A 5aqyA-3q9tA:
undetectable		 5aqyA-3q9tA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 SER A  94
GLY A  88
GLY A 268
TRP A  66
THR A 272
 FAY  A 600 (-2.9A)
None
FAY  A 600 (-3.5A)
FAY  A 600 (-4.0A)
None
 0.89A 5ec8A-3q9tA:
2.5		 5ec8A-3q9tA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 SER A  94
GLY A  88
GLY A 268
TRP A  66
THR A 272
 FAY  A 600 (-2.9A)
None
FAY  A 600 (-3.5A)
FAY  A 600 (-4.0A)
None
 0.88A 5ekxA-3q9tA:
2.6		 5ekxA-3q9tA:
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 GLY A 151
ILE A 164
GLY A 347
GLY A 350
THR A 135
 None
 1.01A 5eqbA-3q9tA:
0.0		 5eqbA-3q9tA:
22.65
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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 12 GLY A 402
LEU A  97
GLY A 211
THR A 203
PHE A 512
 None
FAY  A 600 (-4.9A)
None
None
FAY  A 600 (-3.6A)
 1.25A 5fsaB-3q9tA:
undetectable		 5fsaB-3q9tA:
22.04
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.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		3 / 3 GLN A 390
THR A 109
ASP A 554
 None
 0.89A 5k9dA-3q9tA:
undetectable		 5k9dA-3q9tA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		5 / 10 ARG A 556
ILE A 186
GLY A 196
GLY A 358
VAL A 103
 FAY  A 600 (-4.1A)
None
None
None
None
 1.07A 5o96C-3q9tA:
undetectable
5o96D-3q9tA:
undetectable		 5o96C-3q9tA:
17.59
5o96D-3q9tA:
17.59
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.
5OG9_A_TESA504_1
(-)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 8 ILE A  12
VAL A 216
LEU A  91
THR A  90
 None
 0.77A 5og9A-3q9tA:
undetectable		 5og9A-3q9tA:
22.61
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.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 6 PHE A  10
PHE A   8
ILE A 222
THR A 223
 None
 0.92A 5vceA-3q9tA:
undetectable		 5vceA-3q9tA:
23.25
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.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS
(Aspergillus
oryzae) 		4 / 6 GLU A 120
LYS A 532
LEU A 533
LEU A 520
 None
 1.11A 5yvnA-3q9tA:
undetectable		 5yvnA-3q9tA:
17.50