SIMILAR PATTERNS OF AMINO ACIDS FOR 6HUP_B_DZPB502

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 ILE A  42
LEU A  39
MET A  66
THR A  67
LEU A  63
 None
 1.19A 6hupA-1by8A:
undetectable
6hupB-1by8A:
0.0		 6hupA-1by8A:
13.67
6hupB-1by8A:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 ILE A  40
LEU A  41
THR A  83
ASN A  80
LEU A  79
 None
 1.37A 6hupA-1dj2A:
0.0
6hupB-1dj2A:
0.0		 6hupA-1dj2A:
11.75
6hupB-1dj2A:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqi SHORT CHAIN ACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 116
LEU A 104
MET A  92
ASN A  95
LEU A  56
 None
 1.20A 6hupA-1jqiA:
4.4
6hupB-1jqiA:
4.4		 6hupA-1jqiA:
13.07
6hupB-1jqiA:
13.07
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 ILE A 339
LEU A 343
PRO A 344
THR A 367
MET A 332
 None
 1.19A 6hupA-1jqkA:
2.7
6hupB-1jqkA:
0.0		 6hupA-1jqkA:
8.41
6hupB-1jqkA:
8.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ILE A 278
THR A 354
THR A 262
ASN A 261
MET A 268
 None
FAD  A3005 (-3.9A)
FAD  A3005 (-3.2A)
None
None
 1.41A 6hupA-1n5xA:
2.3
6hupB-1n5xA:
2.6		 6hupA-1n5xA:
6.69
6hupB-1n5xA:
5.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		5 ILE A  94
LEU A  56
LEU A  12
MET A  13
PHE A  42
 None
 1.43A 6hupA-1o9bA:
0.0
6hupB-1o9bA:
0.0		 6hupA-1o9bA:
18.29
6hupB-1o9bA:
16.81
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.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		5 LEU A  42
MET A  46
THR A  47
THR A  22
ASN A  26
 None
 1.49A 6hupA-1vzyA:
0.1
6hupB-1vzyA:
0.0		 6hupA-1vzyA:
14.78
6hupB-1vzyA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 ILE A  26
LEU A  23
MET A  15
THR A  16
MET A 311
 None
 1.21A 6hupA-1z7mA:
0.0
6hupB-1z7mA:
0.0		 6hupA-1z7mA:
14.95
6hupB-1z7mA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 LEU A  39
MET A  70
THR A  71
LEU A 153
MET A 154
 None
 1.49A 6hupA-1zq9A:
0.0
6hupB-1zq9A:
0.0		 6hupA-1zq9A:
13.38
6hupB-1zq9A:
15.97
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.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 ILE A 163
LEU A 117
THR A  56
THR A 106
LEU A 159
 None
 1.09A 6hupA-2bgsA:
undetectable
6hupB-2bgsA:
undetectable		 6hupA-2bgsA:
12.98
6hupB-2bgsA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4a MALATE DEHYDROGENASE

(Aeropyrum
pernix) 		no annotation 5 ILE B  29
LEU B   5
THR B 115
THR B  14
LEU B  26
 None
 1.22A 6hupA-2d4aB:
undetectable
6hupB-2d4aB:
undetectable		 6hupA-2d4aB:
15.81
6hupB-2d4aB:
14.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lky UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF11829
(DUF3349) 		5 ILE A  64
LEU A  67
MET A  71
THR A  72
LEU A  41
 None
 1.13A 6hupA-2lkyA:
undetectable
6hupB-2lkyA:
undetectable		 6hupA-2lkyA:
20.00
6hupB-2lkyA:
18.58
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 ILE A  97
LEU A  93
THR A  75
ASN A  73
LEU A  72
 None
 1.47A 6hupA-2q0fA:
undetectable
6hupB-2q0fA:
undetectable		 6hupA-2q0fA:
12.50
6hupB-2q0fA:
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.
2yyz SUGAR ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 ILE A 321
THR A 239
ASN A 240
LEU A 242
PHE A 241
 None
 1.45A 6hupA-2yyzA:
undetectable
6hupB-2yyzA:
undetectable		 6hupA-2yyzA:
13.26
6hupB-2yyzA:
11.70
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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		5 LEU A 273
MET A 279
MET A 197
ASN A 285
LEU A 289
 None
None
None
FE2  A1388 (-4.3A)
None
 1.21A 6hupA-3bfjA:
undetectable
6hupB-3bfjA:
undetectable		 6hupA-3bfjA:
11.81
6hupB-3bfjA:
12.77
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.
3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Brucella
abortus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 273
LEU A 274
PRO A 160
THR A 155
ASN A 156
 None
 1.48A 6hupA-3docA:
undetectable
6hupB-3docA:
undetectable		 6hupA-3docA:
12.24
6hupB-3docA:
13.86
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 ILE A 526
LEU A 573
THR A 632
MET A 595
LEU A 554
 None
 1.47A 6hupA-3eqnA:
undetectable
6hupB-3eqnA:
undetectable		 6hupA-3eqnA:
6.78
6hupB-3eqnA:
6.53
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.
3gnq GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE, TYPE
I

(Burkholderia
pseudomallei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 274
LEU A 275
PRO A 161
THR A 156
ASN A 157
 None
 1.49A 6hupA-3gnqA:
undetectable
6hupB-3gnqA:
undetectable		 6hupA-3gnqA:
13.31
6hupB-3gnqA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		5 ILE A 312
LEU A 311
PRO A 369
THR A  91
PHE A  93
 None
 1.09A 6hupA-3hm7A:
undetectable
6hupB-3hm7A:
undetectable		 6hupA-3hm7A:
11.14
6hupB-3hm7A:
10.00
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.
3hmb N-ACETYLMURAMOYL-L-A
LANINE AMIDASE XLYA

(Bacillus
subtilis) 		PF01510
(Amidase_2) 		5 ILE A 153
LEU A 124
THR A  27
LEU A 116
MET A 117
 None
 1.46A 6hupA-3hmbA:
undetectable
6hupB-3hmbA:
undetectable		 6hupA-3hmbA:
18.95
6hupB-3hmbA:
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  25
LEU A 300
THR A 297
ASN A 102
LEU A 355
 None
None
MG  A 402 ( 2.9A)
None
None
 1.28A 6hupA-3hpfA:
undetectable
6hupB-3hpfA:
undetectable		 6hupA-3hpfA:
12.02
6hupB-3hpfA:
11.94
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ILE A 232
LEU A 235
MET A 239
LEU A 392
PHE A 441
 None
 1.17A 6hupA-3khkA:
1.3
6hupB-3khkA:
undetectable		 6hupA-3khkA:
9.31
6hupB-3khkA:
10.93
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ILE A 232
LEU A 235
MET A 390
LEU A 392
PHE A 441
 None
 1.13A 6hupA-3khkA:
1.3
6hupB-3khkA:
undetectable		 6hupA-3khkA:
9.31
6hupB-3khkA:
10.93
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.
3lm2 PUTATIVE KINASE

(Agrobacterium
fabrum) 		PF00480
(ROK) 		5 ILE A  57
LEU A   8
THR A  23
LEU A 217
PHE A 215
 None
 1.38A 6hupA-3lm2A:
undetectable
6hupB-3lm2A:
undetectable		 6hupA-3lm2A:
14.73
6hupB-3lm2A:
16.29
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		5 ILE A 359
LEU A 362
THR A 368
THR A  89
LEU A 417
 None
 1.43A 6hupA-3ncyA:
undetectable
6hupB-3ncyA:
1.8		 6hupA-3ncyA:
10.11
6hupB-3ncyA:
11.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ns1 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ILE B 278
THR B 354
THR B 262
ASN B 261
MET B 268
 None
FAD  B 606 (-4.5A)
FAD  B 606 (-2.9A)
None
None
 1.35A 6hupA-3ns1B:
undetectable
6hupB-3ns1B:
undetectable		 6hupA-3ns1B:
15.33
6hupB-3ns1B:
11.94
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.
3p4x REVERSE GYRASE
HELICASE-LIKE DOMAIN

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A  90
THR A  80
THR A 108
LEU A 115
PHE A  71
 None
ADP  A 800 (-4.2A)
ADP  A 800 (-3.4A)
None
ADP  A 800 (-4.6A)
 1.31A 6hupA-3p4xA:
undetectable
6hupB-3p4xA:
undetectable		 6hupA-3p4xA:
11.89
6hupB-3p4xA:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 ILE A 110
LEU A 115
THR A 121
THR A 134
ASN A 170
 None
 1.44A 6hupA-3rd5A:
undetectable
6hupB-3rd5A:
undetectable		 6hupA-3rd5A:
15.79
6hupB-3rd5A:
14.34
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		5 ILE A  12
LEU A  11
MET A 391
LEU A  91
PHE A  52
 None
 1.26A 6hupA-3sdoA:
undetectable
6hupB-3sdoA:
undetectable		 6hupA-3sdoA:
10.60
6hupB-3sdoA:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A  66
LEU A  48
THR A 307
MET A 298
THR A  54
 None
 1.39A 6hupA-3ut3A:
undetectable
6hupB-3ut3A:
undetectable		 6hupA-3ut3A:
13.98
6hupB-3ut3A:
12.83
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.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		5 LEU A 249
PRO A 174
MET A 151
LEU A 177
PHE A 176
 None
None
None
None
MPD  A 401 ( 3.7A)
 1.46A 6hupA-3w04A:
undetectable
6hupB-3w04A:
undetectable		 6hupA-3w04A:
15.27
6hupB-3w04A:
14.56
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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 436
LEU A 437
THR A 304
LEU A 307
PHE A 306
 None
 1.21A 6hupA-4bc5A:
undetectable
6hupB-4bc5A:
undetectable		 6hupA-4bc5A:
11.36
6hupB-4bc5A:
9.36
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 ILE A 538
LEU A 537
MET A 567
LEU A 531
PHE A 530
 None
 1.39A 6hupA-4jzaA:
3.2
6hupB-4jzaA:
undetectable		 6hupA-4jzaA:
6.94
6hupB-4jzaA:
7.57
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.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE H 534
LEU H 535
THR H 538
LEU H 556
PHE H 423
 None
 1.43A 6hupA-4nl4H:
undetectable
6hupB-4nl4H:
undetectable		 6hupA-4nl4H:
6.71
6hupB-4nl4H:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 LEU A 342
MET A 346
THR A 426
LEU A 430
PHE A 431
 None
 1.48A 6hupA-4qjyA:
undetectable
6hupB-4qjyA:
1.6		 6hupA-4qjyA:
9.18
6hupB-4qjyA:
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ILE A4284
LEU A4269
PRO A4270
LEU A4304
PHE A4303
 None
 1.25A 6hupA-4rh7A:
undetectable
6hupB-4rh7A:
undetectable		 6hupA-4rh7A:
2.16
6hupB-4rh7A:
2.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 ILE A 348
LEU A 453
THR A 298
THR A 460
LEU A 342
 None
None
FAD  A 701 ( 4.2A)
None
None
 1.50A 6hupA-4y9lA:
2.6
6hupB-4y9lA:
3.6		 6hupA-4y9lA:
10.45
6hupB-4y9lA:
9.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		5 ILE A 144
LEU A 113
THR A  54
THR A 102
LEU A 140
 None
 1.17A 6hupA-5danA:
undetectable
6hupB-5danA:
undetectable		 6hupA-5danA:
14.71
6hupB-5danA:
13.65
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.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		5 LEU A  37
PRO A  38
THR A   6
MET A 293
LEU A 297
 None
 1.49A 6hupA-5de0A:
undetectable
6hupB-5de0A:
undetectable		 6hupA-5de0A:
16.42
6hupB-5de0A:
14.90
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.
5fnp IRON-SULFUR CLUSTER
REPAIR PROTEIN YTFE

(Escherichia
coli) 		PF01814
(Hemerythrin)
PF04405
(ScdA_N) 		5 ILE A 194
THR A  99
MET A 121
THR A 120
LEU A 166
 None
 1.36A 6hupA-5fnpA:
undetectable
6hupB-5fnpA:
4.1		 6hupA-5fnpA:
14.98
6hupB-5fnpA:
15.64
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 ILE A 172
LEU A 175
PRO A 176
MET A 179
MET A 204
 None
 0.90A 6hupA-5hsiA:
undetectable
6hupB-5hsiA:
undetectable		 6hupA-5hsiA:
9.40
6hupB-5hsiA:
8.84
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 LEU A 199
PRO A 124
MET A 101
LEU A 127
PHE A 126
 None
 1.47A 6hupA-5hzgA:
undetectable
6hupB-5hzgA:
undetectable		 6hupA-5hzgA:
15.36
6hupB-5hzgA:
14.55
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.
5i6c URIC ACID-XANTHINE
PERMEASE

(Aspergillus
nidulans) 		PF00860
(Xan_ur_permease) 		5 ILE A 432
LEU A 429
MET A 151
LEU A 126
MET A 128
 None
 1.49A 6hupA-5i6cA:
undetectable
6hupB-5i6cA:
undetectable		 6hupA-5i6cA:
8.46
6hupB-5i6cA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 ILE A 162
LEU A 116
THR A  55
THR A 105
LEU A 158
 None
 1.14A 6hupA-5jgyA:
undetectable
6hupB-5jgyA:
undetectable		 6hupA-5jgyA:
13.08
6hupB-5jgyA:
13.20
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.
5jwy PHOSPHATIDYLGLYCEROP
HOSPHATASE B

(Escherichia
coli) 		PF01569
(PAP2) 		5 ILE A 218
LEU A 222
THR A 227
THR A   8
LEU A  15
 None
 1.33A 6hupA-5jwyA:
2.1
6hupB-5jwyA:
undetectable		 6hupA-5jwyA:
16.28
6hupB-5jwyA:
15.44
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.
5k47 POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		5 ILE A 236
LEU A 237
THR A 565
LEU A 229
PHE A 230
 None
 1.43A 6hupA-5k47A:
4.4
6hupB-5k47A:
undetectable		 6hupA-5k47A:
10.29
6hupB-5k47A:
8.36
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		5 ILE A1031
THR A1021
MET A 959
THR A 957
LEU A1046
 None
 1.16A 6hupA-5mqsA:
undetectable
6hupB-5mqsA:
undetectable		 6hupA-5mqsA:
6.04
6hupB-5mqsA:
4.78
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 ILE A 499
LEU A 424
PRO A 420
LEU A 481
PHE A 480
 None
 1.13A 6hupA-5nvrA:
3.7
6hupB-5nvrA:
2.3		 6hupA-5nvrA:
6.15
6hupB-5nvrA:
6.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 ILE A 575
PRO A 601
MET A 604
THR A 605
MET A 567
 None
 0.93A 6hupA-5nvrA:
3.7
6hupB-5nvrA:
2.3		 6hupA-5nvrA:
6.15
6hupB-5nvrA:
6.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Mus musculus;
Gloeobacter
violaceus) 		no annotation 5 ILE A 227
LEU A 231
PRO A 232
MET A 235
THR A 236
 None
 0.81A 6hupA-5osbA:
28.3
6hupB-5osbA:
28.0		 6hupA-5osbA:
12.80
6hupB-5osbA:
13.65
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.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		5 ILE A 440
LEU A 433
THR A 489
LEU A 430
PHE A 400
 None
 1.44A 6hupA-5u8zA:
undetectable
6hupB-5u8zA:
undetectable		 6hupA-5u8zA:
10.36
6hupB-5u8zA:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi) 		no annotation 5 ILE A 271
LEU A 272
PRO A 156
THR A 151
ASN A 152
 None
 1.50A 6hupA-5ur0A:
undetectable
6hupB-5ur0A:
undetectable		 6hupA-5ur0A:
17.98
6hupB-5ur0A:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnw ADENYLATE CYCLASE
EXOY

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 346
LEU A 312
PRO A 313
THR A  57
PHE A  61
 None
 1.38A 6hupA-5xnwA:
undetectable
6hupB-5xnwA:
undetectable		 6hupA-5xnwA:
24.10
6hupB-5xnwA:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
LEU B 232
PRO B 233
MET B 236
THR B 237
THR A 262
 None
 0.82A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
LEU B 232
PRO B 233
THR B 237
THR A 262
ASN A 265
 None
 0.94A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
LEU B 232
PRO B 233
THR B 237
THR A 262
LEU A 285
 None
 1.31A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
LEU B 232
PRO B 233
THR B 237
THR A 266
LEU A 285
 None
 1.04A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
PRO B 233
THR B 237
THR A 262
ASN A 265
PHE A 289
 None
 1.26A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
PRO B 233
THR B 237
THR A 262
LEU A 285
PHE A 289
 None
 1.35A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
THR B 237
MET A 261
THR A 262
ASN A 265
PHE A 289
 None
 1.28A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 ILE B 228
THR B 237
MET A 261
THR A 262
LEU A 285
PHE A 289
 None
 1.34A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 PRO B 233
THR B 237
THR A 266
LEU A 285
MET A 286
 None
 1.14A 6hupA-6d6uB:
34.7
6hupB-6d6uB:
33.7		 6hupA-6d6uB:
100.00
6hupB-6d6uB:
28.75