SIMILAR PATTERNS OF AMINO ACIDS FOR 4OLT_A_GCSA306

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.
1clx XYLANASE A

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10) 		3 SER A 312
ASP A 309
GLN A 279
 None
 0.86A 4oltA-1clxA:
0.0
4oltB-1clxA:
0.0		 4oltA-1clxA:
20.74
4oltB-1clxA:
20.74
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.
1eys PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum) 		PF00124
(Photo_RC)
PF02276
(CytoC_RC) 		3 SER L 166
ASP L 163
GLN C 239
 BCL  L 602 ( 4.3A)
None
None
 0.92A 4oltA-1eysL:
1.7
4oltB-1eysL:
0.5		 4oltA-1eysL:
23.02
4oltB-1eysL:
23.02
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.
1f5a POLY(A) POLYMERASE

(Bos taurus) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		3 SER A 307
ASP A 308
GLN A 323
 None
 0.88A 4oltA-1f5aA:
0.0
4oltB-1f5aA:
0.0		 4oltA-1f5aA:
18.42
4oltB-1f5aA:
18.42
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.
1flc HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN

(Influenza C
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase)
PF08720
(Hema_stalk) 		3 SER B 134
ASP B   5
GLN A   8
 None
 0.94A 4oltA-1flcB:
0.0
4oltB-1flcB:
0.0		 4oltA-1flcB:
22.22
4oltB-1flcB:
22.22
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		3 SER A 286
ASP A 454
GLN A 596
 None
 0.93A 4oltA-1jqoA:
2.4
4oltB-1jqoA:
0.0		 4oltA-1jqoA:
16.13
4oltB-1jqoA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		3 SER A 393
ASP A 389
GLN A 325
 None
 0.94A 4oltA-1ms8A:
0.0
4oltB-1ms8A:
0.0		 4oltA-1ms8A:
18.31
4oltB-1ms8A:
18.31
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.
1nq6 XYS1

(Streptomyces
halstedii) 		PF00331
(Glyco_hydro_10) 		3 SER A 275
ASP A 272
GLN A 245
 None
 0.72A 4oltA-1nq6A:
0.0
4oltB-1nq6A:
0.0		 4oltA-1nq6A:
22.98
4oltB-1nq6A:
22.98
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		3 SER A 285
ASP A  35
GLN A 343
 None
CA  A 605 (-3.1A)
CA  A 605 (-2.9A)
 0.93A 4oltA-1p49A:
undetectable
4oltB-1p49A:
undetectable		 4oltA-1p49A:
20.04
4oltB-1p49A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		3 SER A 342
ASP A 259
GLN A 175
 None
SGC  A 902 ( 4.7A)
GLC  A 904 (-3.5A)
 0.70A 4oltA-1q2eA:
undetectable
4oltB-1q2eA:
undetectable		 4oltA-1q2eA:
19.62
4oltB-1q2eA:
19.62
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.
1qgr PROTEIN (IMPORTIN
ALPHA-2 SUBUNIT)
PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF01749
(IBB)
PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		3 SER A 715
ASP A 719
GLN B  46
 None
 0.84A 4oltA-1qgrA:
1.7
4oltB-1qgrA:
2.0		 4oltA-1qgrA:
15.15
4oltB-1qgrA:
15.15
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.
1rlm PHOSPHATASE

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		3 SER A 178
ASP A  11
GLN A  50
 GOL  A 804 (-3.2A)
GOL  A 804 (-4.9A)
None
 0.77A 4oltA-1rlmA:
undetectable
4oltB-1rlmA:
undetectable		 4oltA-1rlmA:
20.00
4oltB-1rlmA:
20.00
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		3 SER A 215
ASP A 307
GLN A 405
 None
 0.89A 4oltA-1sp8A:
undetectable
4oltB-1sp8A:
undetectable		 4oltA-1sp8A:
21.08
4oltB-1sp8A:
21.08
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		3 SER A 487
ASP A 493
GLN A 502
 None
 0.93A 4oltA-1thgA:
undetectable
4oltB-1thgA:
undetectable		 4oltA-1thgA:
19.56
4oltB-1thgA:
19.56
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.
1v6y ENDO-1,4-BETA-D-XYLA
NASE AND
ENDO-1,4-BETA-XYLANA
SE B

(Cellulomonas
fimi;
Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10) 		3 SER A 282
ASP A 279
GLN A 252
 None
 0.68A 4oltA-1v6yA:
undetectable
4oltB-1v6yA:
undetectable		 4oltA-1v6yA:
21.41
4oltB-1v6yA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vbr ENDO-1,4-BETA-XYLANA
SE B

(Thermotoga
maritima) 		PF00331
(Glyco_hydro_10) 		3 SER A 801
ASP A 798
GLN A 771
 None
 0.75A 4oltA-1vbrA:
undetectable
4oltB-1vbrA:
undetectable		 4oltA-1vbrA:
21.86
4oltB-1vbrA:
21.86
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Pyrococcus
abyssi) 		PF00710
(Asparaginase) 		3 SER A 146
ASP A 179
GLN A 205
 ASP  A1000 (-2.2A)
ASP  A1000 (-3.6A)
None
 0.74A 4oltA-1zq1A:
undetectable
4oltB-1zq1A:
undetectable		 4oltA-1zq1A:
19.82
4oltB-1zq1A:
19.82
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.
2b9b FUSION GLYCOPROTEIN
F0

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		3 SER A  59
ASP A  58
GLN A 169
 None
 0.78A 4oltA-2b9bA:
undetectable
4oltB-2b9bA:
undetectable		 4oltA-2b9bA:
20.55
4oltB-2b9bA:
20.55
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.
2cqu PEROXISOMAL
D3,D2-ENOYL-COA
ISOMERASE

(Homo sapiens) 		PF00887
(ACBP) 		3 SER A  23
ASP A  19
GLN A  86
 None
 0.93A 4oltA-2cquA:
undetectable
4oltB-2cquA:
undetectable		 4oltA-2cquA:
19.12
4oltB-2cquA:
19.12
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.
2dep THERMOSTABLE
CELLOXYLANASE

([Clostridium]
stercorarium) 		PF00331
(Glyco_hydro_10) 		3 SER A 350
ASP A 347
GLN A 319
 None
 0.75A 4oltA-2depA:
undetectable
4oltB-2depA:
undetectable		 4oltA-2depA:
21.47
4oltB-2depA:
21.47
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		3 SER A 354
ASP A 367
GLN A 399
 None
 0.63A 4oltA-2dpyA:
undetectable
4oltB-2dpyA:
undetectable		 4oltA-2dpyA:
22.15
4oltB-2dpyA:
22.15
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.
2his CELLULOMONAS FIMI
FAMILY 10
BETA-1,4-GLYCANASE

(Cellulomonas
fimi) 		PF00331
(Glyco_hydro_10) 		3 SER A 280
ASP A 277
GLN A 250
 None
 0.65A 4oltA-2hisA:
undetectable
4oltB-2hisA:
undetectable		 4oltA-2hisA:
23.22
4oltB-2hisA:
23.22
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.
2p5r GLUTATHIONE
PEROXIDASE 5

(Populus
trichocarpa x
Populus
deltoides) 		PF00255
(GSHPx) 		3 SER A   6
ASP A  14
GLN A 145
 None
 0.85A 4oltA-2p5rA:
undetectable
4oltB-2p5rA:
undetectable		 4oltA-2p5rA:
20.47
4oltB-2p5rA:
20.47
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.
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		3 SER A 389
ASP A 390
GLN A 353
 None
 0.92A 4oltA-2vgiA:
undetectable
4oltB-2vgiA:
undetectable		 4oltA-2vgiA:
20.20
4oltB-2vgiA:
20.20
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		3 SER A 589
ASP A 199
GLN A 646
 None
MVL  A1865 ( 2.9A)
None
 0.88A 4oltA-2vmfA:
undetectable
4oltB-2vmfA:
undetectable		 4oltA-2vmfA:
14.69
4oltB-2vmfA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w0m SSO2452

(Sulfolobus
solfataricus) 		PF06745
(ATPase) 		3 SER A  40
ASP A 130
GLN A 166
 None
 0.81A 4oltA-2w0mA:
undetectable
4oltB-2w0mA:
undetectable		 4oltA-2w0mA:
20.62
4oltB-2w0mA:
20.62
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		3 SER A 542
ASP A 539
GLN A 684
 None
CA  A1934 (-2.2A)
CA  A1934 ( 4.3A)
 0.85A 4oltA-2yhgA:
undetectable
4oltB-2yhgA:
undetectable		 4oltA-2yhgA:
21.79
4oltB-2yhgA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		3 SER A 355
ASP A 272
GLN A 188
 None
PEG  A1445 (-3.9A)
None
 0.84A 4oltA-2yokA:
undetectable
4oltB-2yokA:
undetectable		 4oltA-2yokA:
19.04
4oltB-2yokA:
19.04
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.
3a1y ACIDIC RIBOSOMAL
PROTEIN P0

(Pyrococcus
horikoshii) 		PF00466
(Ribosomal_L10) 		3 SER G  32
ASP G 190
GLN G 104
 None
 0.87A 4oltA-3a1yG:
undetectable
4oltB-3a1yG:
undetectable		 4oltA-3a1yG:
23.08
4oltB-3a1yG:
23.08
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		3 SER A 902
ASP A 904
GLN A 383
 None
 0.96A 4oltA-3aibA:
undetectable
4oltB-3aibA:
undetectable		 4oltA-3aibA:
16.17
4oltB-3aibA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		3 SER A 241
ASP A 242
GLN A 279
 None
 0.92A 4oltA-3axiA:
undetectable
4oltB-3axiA:
undetectable		 4oltA-3axiA:
17.85
4oltB-3axiA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		3 SER A 262
ASP A 259
GLN A 232
 None
 0.90A 4oltA-3c9fA:
undetectable
4oltB-3c9fA:
undetectable		 4oltA-3c9fA:
17.00
4oltB-3c9fA:
17.00
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.
3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF13085
(Fer2_3)
PF13183
(Fer4_8) 		3 SER B 211
ASP B 219
GLN B 226
 None
 0.92A 4oltA-3cirB:
undetectable
4oltB-3cirB:
undetectable		 4oltA-3cirB:
22.26
4oltB-3cirB:
22.26
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 SER A 170
ASP A 326
GLN A 375
 None
 0.90A 4oltA-3e7wA:
undetectable
4oltB-3e7wA:
undetectable		 4oltA-3e7wA:
18.57
4oltB-3e7wA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		3 SER A  64
ASP A 438
GLN A 433
 None
NAG  A 551 (-3.8A)
None
 0.91A 4oltA-3eqaA:
undetectable
4oltB-3eqaA:
undetectable		 4oltA-3eqaA:
22.46
4oltB-3eqaA:
22.46
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		3 SER A 104
ASP A 100
GLN A  76
 None
None
IOD  A 203 (-3.9A)
 0.90A 4oltA-3g7rA:
undetectable
4oltB-3g7rA:
undetectable		 4oltA-3g7rA:
24.15
4oltB-3g7rA:
24.15
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.
3hsy GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		3 SER A 138
ASP A  98
GLN A 106
 None
 0.77A 4oltA-3hsyA:
undetectable
4oltB-3hsyA:
undetectable		 4oltA-3hsyA:
22.75
4oltB-3hsyA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hzs MONOFUNCTIONAL
GLYCOSYLTRANSFERASE

(Staphylococcus
aureus) 		PF00912
(Transgly) 		3 SER A 124
ASP A 127
GLN A 251
 None
 0.89A 4oltA-3hzsA:
undetectable
4oltB-3hzsA:
undetectable		 4oltA-3hzsA:
19.52
4oltB-3hzsA:
19.52
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.
3mvp TETR/ACRR
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
mutans) 		PF00440
(TetR_N) 		3 SER A  69
ASP A  72
GLN A 138
 None
 0.94A 4oltA-3mvpA:
undetectable
4oltB-3mvpA:
undetectable		 4oltA-3mvpA:
20.86
4oltB-3mvpA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oaa ATP SYNTHASE SUBUNIT
BETA

(Escherichia
coli) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		3 SER D 322
ASP D 335
GLN D 368
 None
 0.87A 4oltA-3oaaD:
undetectable
4oltB-3oaaD:
undetectable		 4oltA-3oaaD:
21.99
4oltB-3oaaD:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3op0 SIGNAL TRANSDUCTION
PROTEIN CBL-C

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		3 SER A  40
ASP A 245
GLN A 286
 None
 0.94A 4oltA-3op0A:
undetectable
4oltB-3op0A:
0.8		 4oltA-3op0A:
20.92
4oltB-3op0A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		3 SER B 936
ASP B 933
GLN B 777
 None
 0.87A 4oltA-3opyB:
undetectable
4oltB-3opyB:
undetectable		 4oltA-3opyB:
13.87
4oltB-3opyB:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A 145
ASP A 201
GLN A 275
 None
MG  A 390 (-2.8A)
None
 0.79A 4oltA-3ozyA:
undetectable
4oltB-3ozyA:
undetectable		 4oltA-3ozyA:
23.11
4oltB-3ozyA:
23.11
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.
3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1

(Bacteroides
thetaiotaomicron) 		PF08522
(DUF1735) 		3 SER A 316
ASP A 278
GLN A 243
 None
 0.81A 4oltA-3pohA:
undetectable
4oltB-3pohA:
undetectable		 4oltA-3pohA:
21.09
4oltB-3pohA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		3 SER A 148
ASP A 149
GLN A 115
 None
 0.83A 4oltA-3q1yA:
0.3
4oltB-3q1yA:
undetectable		 4oltA-3q1yA:
23.08
4oltB-3q1yA:
23.08
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 SER A  83
ASP A 182
GLN A 189
 NAI  A 500 (-2.7A)
None
HP7  A 550 (-4.8A)
 0.54A 4oltA-3q2iA:
undetectable
4oltB-3q2iA:
undetectable		 4oltA-3q2iA:
22.56
4oltB-3q2iA:
22.56
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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 SER A  82
ASP A 181
GLN A 188
 NAI  A 500 (-2.7A)
None
HP7  A 550 (-3.9A)
 0.65A 4oltA-3q2kA:
undetectable
4oltB-3q2kA:
undetectable		 4oltA-3q2kA:
21.74
4oltB-3q2kA:
21.74
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.
3t05 PYRUVATE KINASE

(Staphylococcus
aureus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		3 SER A 295
ASP A 296
GLN A 259
 None
 0.89A 4oltA-3t05A:
undetectable
4oltB-3t05A:
undetectable		 4oltA-3t05A:
17.93
4oltB-3t05A:
17.93
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.
3tsr RIBONUCLEASE
INHIBITOR
RIBONUCLEASE
PANCREATIC

(Mus musculus) 		PF00074
(RnaseA)
PF13516
(LRR_6) 		3 SER E 401
ASP E 431
GLN A  12
 None
 0.62A 4oltA-3tsrE:
undetectable
4oltB-3tsrE:
undetectable		 4oltA-3tsrE:
19.17
4oltB-3tsrE:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		3 SER A 299
ASP A 296
GLN A 268
 None
 0.76A 4oltA-3w25A:
undetectable
4oltB-3w25A:
undetectable		 4oltA-3w25A:
23.45
4oltB-3w25A:
23.45
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.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		3 SER A 318
ASP A 315
GLN A 288
 None
 0.79A 4oltA-3wufA:
undetectable
4oltB-3wufA:
undetectable		 4oltA-3wufA:
24.30
4oltB-3wufA:
24.30
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		3 SER B  74
ASP B 109
GLN B 342
 None
 0.79A 4oltA-4cakB:
undetectable
4oltB-4cakB:
undetectable		 4oltA-4cakB:
16.62
4oltB-4cakB:
16.62
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.
4dni FUSION PROTEIN OF
RNA-EDITING COMPLEX
PROTEINS MP42 AND
MP18

(Trypanosoma
brucei) 		PF00436
(SSB) 		3 SER A  79
ASP A  82
GLN A 257
 None
 0.84A 4oltA-4dniA:
undetectable
4oltB-4dniA:
undetectable		 4oltA-4dniA:
20.36
4oltB-4dniA:
20.36
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.
4dni FUSION PROTEIN OF
RNA-EDITING COMPLEX
PROTEINS MP42 AND
MP18

(Trypanosoma
brucei) 		PF00436
(SSB) 		3 SER A  79
ASP A  84
GLN A 257
 None
 0.83A 4oltA-4dniA:
undetectable
4oltB-4dniA:
undetectable		 4oltA-4dniA:
20.36
4oltB-4dniA:
20.36
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.
4f8x ENDO-1,4-BETA-XYLANA
SE

(Penicillium
canescens) 		PF00331
(Glyco_hydro_10) 		3 SER A 320
ASP A 317
GLN A 289
 None
 0.86A 4oltA-4f8xA:
undetectable
4oltB-4f8xA:
undetectable		 4oltA-4f8xA:
22.16
4oltB-4f8xA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmw RNA
(GUANINE-9-)-METHYLT
RANSFERASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF01746
(tRNA_m1G_MT) 		3 SER A 145
ASP A 106
GLN A 221
 None
 0.64A 4oltA-4fmwA:
undetectable
4oltB-4fmwA:
undetectable		 4oltA-4fmwA:
20.15
4oltB-4fmwA:
20.15
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		3 SER A 437
ASP A 434
GLN A 406
 None
 0.75A 4oltA-4hu8A:
undetectable
4oltB-4hu8A:
undetectable		 4oltA-4hu8A:
21.99
4oltB-4hu8A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyy MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		3 SER A 136
ASP A 223
GLN A 269
 None
 0.95A 4oltA-4hyyA:
undetectable
4oltB-4hyyA:
undetectable		 4oltA-4hyyA:
23.45
4oltB-4hyyA:
23.45
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.
4i5s VICK-LIKE PROTEIN
PUTATIVE HISTIDINE
KINASE COVS

(Streptococcus
mutans) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		3 SER A 275
ASP A 263
GLN A 330
 None
 0.93A 4oltA-4i5sA:
undetectable
4oltB-4i5sA:
undetectable		 4oltA-4i5sA:
18.50
4oltB-4i5sA:
18.50
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.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		3 SER A  74
ASP A 380
GLN A 336
 None
 0.78A 4oltA-4irlA:
undetectable
4oltB-4irlA:
undetectable		 4oltA-4irlA:
21.41
4oltB-4irlA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		3 SER A 146
ASP A 143
GLN A 261
 None
 0.66A 4oltA-4k7cA:
0.3
4oltB-4k7cA:
0.3		 4oltA-4k7cA:
18.89
4oltB-4k7cA:
18.89
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.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		3 SER A 111
ASP A 137
GLN A 286
 None
GOL  A 502 (-2.8A)
GOL  A 502 (-3.4A)
 0.85A 4oltA-4kq9A:
undetectable
4oltB-4kq9A:
undetectable		 4oltA-4kq9A:
27.24
4oltB-4kq9A:
27.24
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.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE

(Plasmodium
falciparum) 		PF00082
(Peptidase_S8) 		3 SER A 621
ASP A 450
GLN A 355
 None
 0.95A 4oltA-4lvoA:
undetectable
4oltB-4lvoA:
undetectable		 4oltA-4lvoA:
20.55
4oltB-4lvoA:
20.55
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		3 SER A 511
ASP A 516
GLN A 462
 None
 0.82A 4oltA-4lxrA:
undetectable
4oltB-4lxrA:
undetectable		 4oltA-4lxrA:
14.34
4oltB-4lxrA:
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.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		3 SER A 332
ASP A 345
GLN A 377
 None
 0.94A 4oltA-4nphA:
undetectable
4oltB-4nphA:
undetectable		 4oltA-4nphA:
21.69
4oltB-4nphA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE

(Mycobacterium
tuberculosis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		3 SER A 246
ASP A 250
GLN A  77
 OXM  A 302 ( 2.7A)
NAP  A 301 ( 4.8A)
NAP  A 301 (-3.1A)
 0.94A 4oltA-4ol9A:
undetectable
4oltB-4ol9A:
undetectable		 4oltA-4ol9A:
22.43
4oltB-4ol9A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		3 SER B 293
ASP B 290
GLN B 300
 SER  B 293 ( 0.0A)
ASP  B 290 ( 0.6A)
GLN  B 300 ( 0.6A)
 0.88A 4oltA-4oudB:
undetectable
4oltB-4oudB:
undetectable		 4oltA-4oudB:
20.60
4oltB-4oudB:
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.
4pv5 LACTOYLGLUTATHIONE
LYASE

(Mus musculus) 		PF00903
(Glyoxalase) 		3 SER A  45
ASP A 168
GLN A 113
 None
 0.96A 4oltA-4pv5A:
undetectable
4oltB-4pv5A:
undetectable		 4oltA-4pv5A:
18.78
4oltB-4pv5A:
18.78
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		3 SER A 564
ASP A 394
GLN A 299
 None
None
PO4  A 806 ( 4.2A)
 0.89A 4oltA-4tr2A:
0.4
4oltB-4tr2A:
0.4		 4oltA-4tr2A:
17.39
4oltB-4tr2A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0p LIPOYL SYNTHASE 2

(Thermosynechococcus
elongatus) 		PF04055
(Radical_SAM) 		3 SER B 188
ASP B 141
GLN B 114
 None
 0.85A 4oltA-4u0pB:
undetectable
4oltB-4u0pB:
undetectable		 4oltA-4u0pB:
24.20
4oltB-4u0pB:
24.20
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.
4wt7 ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		3 SER A 164
ASP A 165
GLN A 326
 None
 0.95A 4oltA-4wt7A:
undetectable
4oltB-4wt7A:
undetectable		 4oltA-4wt7A:
21.92
4oltB-4wt7A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xx6 BETA-XYLANASE

(Gloeophyllum
trabeum) 		PF00331
(Glyco_hydro_10) 		3 SER A 313
ASP A 310
GLN A 282
 None
 0.79A 4oltA-4xx6A:
undetectable
4oltB-4xx6A:
undetectable		 4oltA-4xx6A:
22.51
4oltB-4xx6A:
22.51
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.
4yh7 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		3 SER A 176
ASP A 174
GLN A  53
 None
 0.92A 4oltA-4yh7A:
undetectable
4oltB-4yh7A:
undetectable		 4oltA-4yh7A:
16.11
4oltB-4yh7A:
16.11
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.
4zet C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER C

(Homo sapiens) 		PF00059
(Lectin_C) 		3 SER A 112
ASP A 117
GLN A 158
 None
 0.89A 4oltA-4zetA:
undetectable
4oltB-4zetA:
undetectable		 4oltA-4zetA:
18.33
4oltB-4zetA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		3 SER A 849
ASP A1051
GLN A 749
 None
 0.96A 4oltA-4zktA:
0.8
4oltB-4zktA:
undetectable		 4oltA-4zktA:
11.41
4oltB-4zktA:
11.41
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		3 SER A 348
ASP A 258
GLN A 174
 None
 0.83A 4oltA-4zzpA:
undetectable
4oltB-4zzpA:
undetectable		 4oltA-4zzpA:
19.46
4oltB-4zzpA:
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 SER A1067
ASP A 747
GLN A 685
 None
 0.69A 4oltA-5a0zA:
undetectable
4oltB-5a0zA:
1.6		 4oltA-5a0zA:
16.88
4oltB-5a0zA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 SER A 290
ASP A 323
GLN A 326
 None
 0.92A 4oltA-5a7mA:
undetectable
4oltB-5a7mA:
undetectable		 4oltA-5a7mA:
15.58
4oltB-5a7mA:
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.
5aff RIBOSOMAL PROTEIN
L11

(Chaetomium
thermophilum) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		3 SER C 120
ASP C 118
GLN C  40
 None
 0.95A 4oltA-5affC:
undetectable
4oltB-5affC:
undetectable		 4oltA-5affC:
20.97
4oltB-5affC:
20.97
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.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		3 SER A  66
ASP A  64
GLN A 156
 None
 0.94A 4oltA-5dl5A:
undetectable
4oltB-5dl5A:
undetectable		 4oltA-5dl5A:
22.12
4oltB-5dl5A:
22.12
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.
5ffq SHUY-LIKE PROTEIN

(Escherichia
coli) 		PF13460
(NAD_binding_10) 		3 SER A 112
ASP A 111
GLN A 139
 None
 0.81A 4oltA-5ffqA:
undetectable
4oltB-5ffqA:
undetectable		 4oltA-5ffqA:
24.34
4oltB-5ffqA:
24.34
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.
5fmf RNA POLYMERASE II
PRE-INITIATION
COMPLEX, TFG1

(Saccharomyces
cerevisiae) 		PF05793
(TFIIF_alpha) 		3 SER U 417
ASP U 414
GLN U 150
 None
 0.90A 4oltA-5fmfU:
undetectable
4oltB-5fmfU:
undetectable		 4oltA-5fmfU:
21.12
4oltB-5fmfU:
21.12
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.
5h07 POLYUBIQUITIN-C

(Homo sapiens) 		PF00240
(ubiquitin) 		3 SER A 220
ASP A 221
GLN A 131
 None
 0.89A 4oltA-5h07A:
undetectable
4oltB-5h07A:
undetectable		 4oltA-5h07A:
23.99
4oltB-5h07A:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hc8 PRENYLTRANSFERENCE
FOR PROTEIN

(Lavandula
lanata) 		PF01255
(Prenyltransf) 		3 SER A 145
ASP A 141
GLN A  94
 None
 0.67A 4oltA-5hc8A:
1.6
4oltB-5hc8A:
1.5		 4oltA-5hc8A:
21.50
4oltB-5hc8A:
21.50
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		3 SER A  63
ASP A  60
GLN A 253
 None
 0.87A 4oltA-5infA:
0.6
4oltB-5infA:
undetectable		 4oltA-5infA:
19.05
4oltB-5infA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlv -

(-) 		no annotation 3 SER G 207
ASP G 205
GLN G 165
 None
 0.87A 4oltA-5mlvG:
undetectable
4oltB-5mlvG:
undetectable		 4oltA-5mlvG:
undetectable
4oltB-5mlvG:
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		3 SER A 665
ASP A 667
GLN A 687
 None
 0.93A 4oltA-5n8oA:
undetectable
4oltB-5n8oA:
0.4		 4oltA-5n8oA:
11.03
4oltB-5n8oA:
11.03
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 3 SER A 342
ASP A 259
GLN A 175
 None
None
BTB  A 604 (-3.8A)
 0.80A 4oltA-5o5dA:
undetectable
4oltB-5o5dA:
undetectable		 4oltA-5o5dA:
15.90
4oltB-5o5dA:
15.90
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.
5ofk GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		3 SER A 304
ASP A 301
GLN A 273
 None
 0.79A 4oltA-5ofkA:
undetectable
4oltB-5ofkA:
undetectable		 4oltA-5ofkA:
21.51
4oltB-5ofkA:
21.51
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		3 SER T2611
ASP T2608
GLN T3537
 None
 0.95A 4oltA-5ojsT:
undetectable
4oltB-5ojsT:
undetectable		 4oltA-5ojsT:
5.22
4oltB-5ojsT:
5.22
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.
5oyp STRUCTURAL PROTEIN
VP2

(Sacbrood virus) 		no annotation 3 SER B 136
ASP B 140
GLN B  81
 None
 0.96A 4oltA-5oypB:
undetectable
4oltB-5oypB:
undetectable		 4oltA-5oypB:
undetectable
4oltB-5oypB:
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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		3 SER A 443
ASP A 447
GLN A  34
 None
GOL  A 505 (-3.7A)
GOL  A 505 (-3.0A)
 0.96A 4oltA-5tvgA:
undetectable
4oltB-5tvgA:
undetectable		 4oltA-5tvgA:
20.52
4oltB-5tvgA:
20.52
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.
5xmj FUMARATE REDUCTASE
RESPIRATORY COMPLEX
SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Desulfovibrio
gigas) 		no annotation 3 SER B 191
ASP B 193
GLN C  12
 None
 0.96A 4oltA-5xmjB:
undetectable
4oltB-5xmjB:
undetectable		 4oltA-5xmjB:
14.11
4oltB-5xmjB:
14.11
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.
5xs1 HYPERGLYCEMIC
HORMONE-LIKE PEPTIDE

(Scylla olivacea) 		no annotation 3 SER A   6
ASP A   4
GLN A   1
 None
 0.94A 4oltA-5xs1A:
undetectable
4oltB-5xs1A:
undetectable		 4oltA-5xs1A:
13.60
4oltB-5xs1A:
13.60
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.
5xzu BETA-XYLANASE

(Bispora sp.
MEY-1) 		no annotation 3 SER A 296
ASP A 293
GLN A 266
 None
 0.86A 4oltA-5xzuA:
undetectable
4oltB-5xzuA:
undetectable		 4oltA-5xzuA:
16.19
4oltB-5xzuA:
16.19
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 3 SER A 204
ASP A 315
GLN A 361
 None
 0.85A 4oltA-6cgmA:
undetectable
4oltB-6cgmA:
undetectable		 4oltA-6cgmA:
16.29
4oltB-6cgmA:
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.
6egx STRUCTURAL PROTEIN
VP2

(Sacbrood virus) 		no annotation 3 SER B 136
ASP B 140
GLN B  81
 None
 0.96A 4oltA-6egxB:
undetectable
4oltB-6egxB:
undetectable		 4oltA-6egxB:
undetectable
4oltB-6egxB:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 3 SER A 388
ASP A 390
GLN A 688
 None
 0.95A 4oltA-6f42A:
undetectable
4oltB-6f42A:
undetectable		 4oltA-6f42A:
17.89
4oltB-6f42A:
17.89
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 3 SER A  64
ASP A 438
GLN A 433
 None
NAG  A 703 (-3.1A)
None
 0.87A 4oltA-6frvA:
undetectable
4oltB-6frvA:
undetectable		 4oltA-6frvA:
17.67
4oltB-6frvA:
17.67
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.
6fx6 -

(-) 		no annotation 3 SER A 131
ASP A 127
GLN A  96
 None
 0.82A 4oltA-6fx6A:
undetectable
4oltB-6fx6A:
undetectable		 4oltA-6fx6A:
undetectable
4oltB-6fx6A:
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 3 SER A 336
ASP A 347
GLN A 127
 None
 0.93A 4oltA-6g45A:
undetectable
4oltB-6g45A:
undetectable		 4oltA-6g45A:
14.68
4oltB-6g45A:
14.68