SIMILAR PATTERNS OF AMINO ACIDS FOR 2O4N_A_TPVA300

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.
1dpb DIHYDROLIPOYL-TRANSA
CETYLASE

(Azotobacter
vinelandii) 		PF00198
(2-oxoacid_dh) 		5 LEU A 625
ALA A 475
ASP A 522
ILE A 635
LEU A 629
 None
 1.00A 2o4nA-1dpbA:
undetectable		 2o4nA-1dpbA:
19.42
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.
1es6 MATRIX PROTEIN VP40

(Ebola virus sp.) 		PF07447
(VP40) 		6 ASP A 296
ILE A 258
GLY A 260
ILE A 261
PRO A 317
LEU A 213
 None
 1.34A 2o4nA-1es6A:
undetectable		 2o4nA-1es6A:
16.61
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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 LEU A  34
ILE A 300
ILE A 280
ILE A 348
LEU A 321
 None
 0.97A 2o4nA-1geyA:
undetectable		 2o4nA-1geyA:
14.08
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.
1hg3 TRIOSEPHOSPHATE
ISOMERASE

(Pyrococcus
woesei) 		PF00121
(TIM)
PF05690
(ThiG) 		5 LEU A 180
ALA A 194
ILE A 185
GLY A 224
ILE A 225
 None
 1.00A 2o4nA-1hg3A:
undetectable		 2o4nA-1hg3A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hqk 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Aquifex
aeolicus) 		PF00885
(DMRL_synthase) 		5 ALA A 143
ILE A 111
GLY A 114
ILE A  78
LEU A  66
 None
 1.00A 2o4nA-1hqkA:
undetectable		 2o4nA-1hqkA:
22.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  50
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 1.26A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.71A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.69A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 0.72A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.61A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.12A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.6A)
 1.16A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  50
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.27A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A  87
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.44A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A  87
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.6A)
 1.50A 2o4nA-1hvcA:
13.7		 2o4nA-1hvcA:
45.81
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.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A   6
ASP A  57
ILE A 120
GLY A  50
LEU A  66
 None
 1.01A 2o4nA-1jvbA:
undetectable		 2o4nA-1jvbA:
13.04
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ARG A 220
LEU A 271
ASP A 287
ASP A 262
GLY A 226
 None
None
CD  A 562 ( 2.8A)
None
None
 1.00A 2o4nA-1lxtA:
undetectable		 2o4nA-1lxtA:
12.47
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.
1nu5 CHLOROMUCONATE
CYCLOISOMERASE

(Pseudomonas sp.
P51) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 315
GLY A 290
ILE A 291
PRO A 319
LEU A 318
 None
 0.93A 2o4nA-1nu5A:
undetectable		 2o4nA-1nu5A:
15.14
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 102
ILE A 149
ILE A  33
GLY A   4
ILE A 109
 None
 0.95A 2o4nA-1p9pA:
undetectable		 2o4nA-1p9pA:
19.92
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.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 918
ILE A 921
GLY A 875
PRO A 911
 None
 0.93A 2o4nA-1rjbA:
undetectable		 2o4nA-1rjbA:
14.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ILE A  32
GLY A  48
PRO A  81
 None
 0.94A 2o4nA-1sivA:
18.6		 2o4nA-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
PRO A  81
 None
 0.65A 2o4nA-1sivA:
18.6		 2o4nA-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.85A 2o4nA-1sivA:
18.6		 2o4nA-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1szp DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ALA A 113
ASP A 117
ILE A 121
GLY A 103
LEU A  86
 None
 1.00A 2o4nA-1szpA:
undetectable		 2o4nA-1szpA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t4w C.ELEGANS P53 TUMOR
SUPPRESSOR-LIKE
TRANSCRIPTION FACTOR

(Caenorhabditis
elegans) 		PF09287
(CEP1-DNA_bind) 		5 LEU A 381
ALA A 353
ILE A 282
ILE A 325
ILE A 345
 None
 0.96A 2o4nA-1t4wA:
undetectable		 2o4nA-1t4wA:
15.98
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 630
ALA A 596
ILE A 291
ILE A 283
PRO A 634
 None
 0.88A 2o4nA-1uaaA:
undetectable		 2o4nA-1uaaA:
10.96
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.
1umg 385AA LONG CONSERVED
HYPOTHETICAL PROTEIN

(Sulfurisphaera
tokodaii) 		PF01950
(FBPase_3) 		5 ARG A 121
LEU A 212
ILE A 202
ILE A 238
LEU A 245
 None
 0.94A 2o4nA-1umgA:
undetectable		 2o4nA-1umgA:
15.00
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		5 ALA A 239
ASP A 188
ILE A 151
ILE A 236
LEU A 249
 None
 0.97A 2o4nA-1vdwA:
undetectable		 2o4nA-1vdwA:
17.83
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.
1w99 PESTICIDIAL CRYSTAL
PROTEIN CRY4BA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 LEU A 491
ALA A 485
ILE A 612
ILE A 541
ILE A 624
 None
 0.98A 2o4nA-1w99A:
undetectable		 2o4nA-1w99A:
11.07
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.
1x7h PUTATIVE KETOACYL
REDUCTASE

(Streptomyces
coelicolor) 		PF00106
(adh_short) 		5 LEU A  10
ALA A  14
ILE A  18
GLY A  92
LEU A  87
 None
None
NDP  A 301 (-3.9A)
NDP  A 301 (-3.2A)
None
 0.96A 2o4nA-1x7hA:
undetectable		 2o4nA-1x7hA:
17.24
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.
1xi9 PUTATIVE
TRANSAMINASE

(Pyrococcus
furiosus) 		PF00155
(Aminotran_1_2) 		5 ALA A 171
ILE A 109
ILE A 230
ILE A 200
LEU A 114
 None
 0.90A 2o4nA-1xi9A:
undetectable		 2o4nA-1xi9A:
12.81
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.
1y0e PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Staphylococcus
aureus) 		PF04131
(NanE) 		5 LEU A  97
ALA A 126
GLY A 143
ILE A 142
LEU A 105
 None
 0.96A 2o4nA-1y0eA:
undetectable		 2o4nA-1y0eA:
18.22
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.
1ytu HYPOTHETICAL PROTEIN
AF1318

(Archaeoglobus
fulgidus) 		PF02171
(Piwi) 		5 ALA A  50
ILE A 134
ILE A 104
GLY A 107
LEU A 164
 None
 1.01A 2o4nA-1ytuA:
undetectable		 2o4nA-1ytuA:
13.85
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.49A 2o4nA-2fmbA:
15.4		 2o4nA-2fmbA:
29.81
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ILE A  85
ILE A  53
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
 1.38A 2o4nA-2fmbA:
15.4		 2o4nA-2fmbA:
29.81
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.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA-1
F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA
ISOFORMS 1 AND 2

(Gallus gallus) 		PF01115
(F_actin_cap_B)
PF01267
(F-actin_cap_A) 		5 ASP A 270
ILE A 274
ILE A 269
GLY B 514
ILE B 513
 None
 0.92A 2o4nA-2kxpA:
undetectable		 2o4nA-2kxpA:
16.36
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.
2mf2 MRNA INTERFERASE
MAZF

(Staphylococcus
aureus) 		PF02452
(PemK_toxin) 		6 LEU A 118
ASP A 115
ASP A 108
ASP A 109
GLY A  17
LEU A  88
 None
 1.31A 2o4nA-2mf2A:
undetectable		 2o4nA-2mf2A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 ARG A 542
ALA A 575
ILE A 385
ILE A 534
LEU A 390
 None
 1.00A 2o4nA-2pggA:
undetectable		 2o4nA-2pggA:
8.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 LEU A   9
ASP A 369
ILE A 372
ILE A 341
GLY A 205
 None
None
None
None
ATP  A1002 (-3.5A)
 1.01A 2o4nA-2qxlA:
undetectable		 2o4nA-2qxlA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 ASP A 254
ASP A 253
ILE A 225
ILE A 252
ILE A 133
 None
 0.95A 2o4nA-2ri6A:
undetectable		 2o4nA-2ri6A:
15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ILE A  32
GLY A  48
PRO A  81
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
 0.92A 2o4nA-2rkfA:
20.1		 2o4nA-2rkfA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.61A 2o4nA-2rkfA:
20.1		 2o4nA-2rkfA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ASP A  41
ILE A  44
 None
 0.88A 2o4nA-2rspA:
12.8		 2o4nA-2rspA:
35.20
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 ASP A  59
ASP A  60
ILE A  57
ILE A  76
LEU A  37
 None
 1.02A 2o4nA-2wyhA:
undetectable		 2o4nA-2wyhA:
8.89
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 LEU A 137
ILE A 165
ILE A 175
ILE A  88
LEU A 148
 None
 0.95A 2o4nA-2yfnA:
undetectable		 2o4nA-2yfnA:
10.83
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.90A 2o4nA-3aqcB:
undetectable		 2o4nA-3aqcB:
16.44
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.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		6 ARG A 226
ASP A 203
ALA A 197
GLY A 255
PRO A 264
LEU A 267
 None
 1.35A 2o4nA-3atyA:
undetectable		 2o4nA-3atyA:
14.13
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.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		5 ARG A   8
ASP A 102
GLY A  21
PRO A 138
LEU A 137
 None
 1.00A 2o4nA-3bczA:
undetectable		 2o4nA-3bczA:
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.
3cai POSSIBLE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 ARG A 341
ALA A 353
ASP A  23
GLY A 350
LEU A 397
 None
 0.98A 2o4nA-3caiA:
undetectable		 2o4nA-3caiA:
12.99
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.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		5 ARG A 111
ASP A  18
ILE A  19
ILE A 211
GLY A 209
 None
 0.91A 2o4nA-3e8jA:
undetectable		 2o4nA-3e8jA:
16.00
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.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472

(Listeria
monocytogenes) 		PF04816
(TrmK) 		5 LEU A 165
ILE A  98
ILE A  89
GLY A 115
LEU A 127
 None
 1.00A 2o4nA-3gnlA:
undetectable		 2o4nA-3gnlA:
18.72
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.
3h2y GTPASE FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01926
(MMR_HSR1) 		5 ARG A 288
LEU A 258
ASP A 333
ILE A 351
ILE A 327
 None
 1.01A 2o4nA-3h2yA:
undetectable		 2o4nA-3h2yA:
15.08
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.
3h4c TRANSCRIPTION FACTOR
TFIIB-LIKE

(Trypanosoma
brucei) 		no annotation 5 ARG A 133
ILE A 183
ILE A 152
GLY A 121
ILE A 122
 None
 0.74A 2o4nA-3h4cA:
undetectable		 2o4nA-3h4cA:
21.83
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.
3hxt 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE

(Homo sapiens) 		PF01812
(5-FTHF_cyc-lig) 		5 LEU A 171
ILE A  54
ILE A  68
ILE A  41
LEU A 131
 None
 0.87A 2o4nA-3hxtA:
undetectable		 2o4nA-3hxtA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lwz 3-DEHYDROQUINATE
DEHYDRATASE

(Yersinia pestis) 		PF01220
(DHquinase_II) 		6 ALA A 132
ASP A 133
ILE A 102
ILE A 127
GLY A 129
LEU A  15
 None
 1.32A 2o4nA-3lwzA:
undetectable		 2o4nA-3lwzA:
21.19
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.
3mpl VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ARG A 380
ALA A 368
ILE A 350
GLY A 352
LEU A 374
 None
 0.91A 2o4nA-3mplA:
undetectable		 2o4nA-3mplA:
18.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.66A 2o4nA-3mwsA:
20.6		 2o4nA-3mwsA:
74.75
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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ALA A 531
ILE A 529
ILE A 294
GLY A 353
ILE A 354
 None
 0.94A 2o4nA-3nvaA:
undetectable		 2o4nA-3nvaA:
11.51
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 351
ALA A  96
ASP A  95
ILE A  69
GLY A   7
 None
None
None
None
NAP  A 372 (-3.1A)
 1.01A 2o4nA-3pzrA:
undetectable		 2o4nA-3pzrA:
14.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-3.3A)
None
 0.79A 2o4nA-3t3cA:
19.1		 2o4nA-3t3cA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.74A 2o4nA-3t3cA:
19.1		 2o4nA-3t3cA:
75.76
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.
3tj8 UREASE ACCESSORY
PROTEIN UREE

(Helicobacter
pylori) 		PF02814
(UreE_N)
PF05194
(UreE_C) 		5 LEU A  16
ASP A  12
ILE A  70
ILE A  62
GLY A  60
 None
 0.98A 2o4nA-3tj8A:
undetectable		 2o4nA-3tj8A:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
LEU A  82
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 ( 4.6A)
 0.74A 2o4nA-3ttpA:
19.7		 2o4nA-3ttpA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-4.1A)
 1.43A 2o4nA-3ttpA:
19.7		 2o4nA-3ttpA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
LEU A  82
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
None
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
017  A 202 (-4.0A)
 0.79A 2o4nA-3u7sA:
19.9		 2o4nA-3u7sA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 1.34A 2o4nA-3u7sA:
19.9		 2o4nA-3u7sA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  82
ASP A  30
ILE A  32
ILE A  47
GLY A  49
ILE A  50
 017  A 202 (-4.0A)
017  A 201 ( 4.0A)
None
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.21A 2o4nA-3u7sA:
19.9		 2o4nA-3u7sA:
82.83
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		5 LEU A 628
ALA A 635
ILE A 602
GLY A 642
LEU A 622
 None
 1.01A 2o4nA-3ugmA:
undetectable		 2o4nA-3ugmA:
7.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
 None
 0.72A 2o4nA-3uhlA:
16.5		 2o4nA-3uhlA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  32
PRO A  81
 None
 0.42A 2o4nA-3uhlA:
16.5		 2o4nA-3uhlA:
80.81
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.
3uiz CHIMERA PROTEIN OF
SEFD AND SEFA

(Salmonella
enterica) 		PF05775
(AfaD) 		5 ALA A 114
ILE A 112
ILE A  69
GLY A  82
ILE A  81
 None
 1.01A 2o4nA-3uizA:
undetectable		 2o4nA-3uizA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w01 HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Staphylococcus
aureus) 		PF01884
(PcrB) 		5 ASP A  23
ILE A  27
ILE A 212
ILE A  37
LEU A  60
 None
 0.98A 2o4nA-3w01A:
undetectable		 2o4nA-3w01A:
19.44
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 LEU A 154
ALA A  84
ILE A 164
ILE A 294
ILE A 290
 None
 1.00A 2o4nA-3welA:
undetectable		 2o4nA-3welA:
7.54
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 ALA A 218
ASP A 219
GLY A 222
ILE A 171
LEU A 249
 None
 0.89A 2o4nA-3wjsA:
undetectable		 2o4nA-3wjsA:
14.37
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ASP A 564
ILE A 661
ILE A 562
GLY A 496
ILE A 495
 None
 0.98A 2o4nA-3zukA:
undetectable		 2o4nA-3zukA:
10.16
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.
4aoy ISOCITRATE
DEHYDROGENASE [NADP]

(Ruminiclostridium
thermocellum) 		PF00180
(Iso_dh) 		6 LEU A  31
ALA A 353
ASP A 351
ILE A   4
GLY A 341
LEU A  37
 None
 1.46A 2o4nA-4aoyA:
undetectable		 2o4nA-4aoyA:
13.33
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  56
GLY A  71
ILE A  83
 None
 0.92A 2o4nA-4d1tA:
undetectable		 2o4nA-4d1tA:
18.11
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.
4dok SIMILARITY TO
CHALCONE-FLAVONONE
ISOMERASE

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 ALA A  78
ASP A  77
ASP A  74
ILE A 200
LEU A 208
 None
 0.92A 2o4nA-4dokA:
undetectable		 2o4nA-4dokA:
22.84
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.
4gek TRNA
(CMO5U34)-METHYLTRAN
SFERASE

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		5 LEU A 147
ASP A 117
ILE A  88
GLY A  64
LEU A 160
 None
GEK  A 302 (-3.2A)
None
GEK  A 302 (-3.7A)
None
 0.99A 2o4nA-4gekA:
undetectable		 2o4nA-4gekA:
15.26
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 127
ILE A 392
GLY A  96
ILE A  97
PRO A 457
 None
 0.97A 2o4nA-4iigA:
undetectable		 2o4nA-4iigA:
9.29
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.
4j72 PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

(Aquifex
aeolicus) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 LEU A 104
ILE A 182
GLY A 272
ILE A 271
LEU A 108
 None
 0.90A 2o4nA-4j72A:
undetectable		 2o4nA-4j72A:
14.60
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.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 254
ASP A 253
ASP A 250
ILE A 300
LEU A 196
 None
 1.00A 2o4nA-4kq8A:
undetectable		 2o4nA-4kq8A:
13.74
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.
4l1g PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		PF01522
(Polysacc_deac_1) 		5 ARG A 159
ILE A 150
ILE A 168
GLY A 129
ILE A 128
 None
 0.86A 2o4nA-4l1gA:
undetectable		 2o4nA-4l1gA:
17.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.66A 2o4nA-4njvA:
20.5		 2o4nA-4njvA:
82.83
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A  50
ALA A 158
ASP A 161
ILE A 143
ILE A 215
 None
 0.93A 2o4nA-4oe5A:
undetectable		 2o4nA-4oe5A:
12.65
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ARG A 380
ALA A 368
ILE A 350
GLY A 352
LEU A 374
 None
 0.87A 2o4nA-4q0cA:
undetectable		 2o4nA-4q0cA:
11.74
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A2892
ILE A2605
GLY A2603
ILE A2576
LEU A2569
 None
 1.01A 2o4nA-4qyrA:
undetectable		 2o4nA-4qyrA:
13.76
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.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 918
ILE A 921
GLY A 875
PRO A 911
 None
 1.00A 2o4nA-4rt7A:
undetectable		 2o4nA-4rt7A:
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.
4rzk SMALL HEAT SHOCK
PROTEIN HSP20 FAMILY

(Sulfolobus
solfataricus) 		PF00011
(HSP20) 		5 LEU A 121
ALA A  87
ILE A  90
PRO A 139
LEU A 138
 None
 0.88A 2o4nA-4rzkA:
undetectable		 2o4nA-4rzkA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 176
ASP A 177
ILE A 118
 None
 0.95A 2o4nA-4ttpA:
undetectable		 2o4nA-4ttpA:
16.51
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 176
GLY A  12
ILE A 118
 None
 0.98A 2o4nA-4ttpA:
undetectable		 2o4nA-4ttpA:
16.51
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.
4uou FUCOSE-SPECIFIC
LECTIN FLEA

(Aspergillus
fumigatus) 		PF07938
(Fungal_lectin) 		5 LEU A 202
ILE A 205
ILE A 231
GLY A 162
ILE A 161
 None
None
None
None
CSX  A 111 ( 4.7A)
 0.76A 2o4nA-4uouA:
undetectable		 2o4nA-4uouA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A  13
ILE A 231
GLY A 100
ILE A  99
LEU A 305
 ZN  A1576 (-2.1A)
None
None
None
None
 0.96A 2o4nA-4upiA:
undetectable		 2o4nA-4upiA:
11.05
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.
4xa9 GALA PROTEIN TYPE 1,
3 OR 4

(Legionella
pneumophila) 		PF13516
(LRR_6) 		5 LEU A  21
ILE A  73
ILE A  78
GLY A  58
LEU A  47
 None
 0.85A 2o4nA-4xa9A:
undetectable		 2o4nA-4xa9A:
15.65
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.
4xuf RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 918
ILE A 921
GLY A 875
PRO A 911
 None
 0.91A 2o4nA-4xufA:
undetectable		 2o4nA-4xufA:
16.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ARG A  10
LEU A  30
ASP A  32
ALA A  35
ASP A  36
GLY A  58
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.60A 2o4nA-4ydfA:
13.3		 2o4nA-4ydfA:
30.43
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.
4ym3 GALECTIN-4

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 LEU A 202
ALA A 234
ASP A 232
ILE A 223
LEU A 198
 None
 0.87A 2o4nA-4ym3A:
undetectable		 2o4nA-4ym3A:
21.57
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 279
ILE A 275
ILE A 311
GLY A 307
ILE A 340
 None
 0.97A 2o4nA-4zohA:
undetectable		 2o4nA-4zohA:
9.77
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.
5a3f DYNAMIN 3

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 LEU A  29
ALA A 724
GLY A 730
ILE A 731
LEU A  31
 None
 0.97A 2o4nA-5a3fA:
undetectable		 2o4nA-5a3fA:
9.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  57
GLY A  71
ILE A  83
 None
 0.95A 2o4nA-5a87A:
undetectable		 2o4nA-5a87A:
18.52
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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  41
ALA A  46
GLY A  25
ILE A  95
LEU A  66
 None
 1.36A 2o4nB-1a5zA:
undetectable		 2o4nB-1a5zA:
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LEU A 510
ALA A  71
ILE A 211
GLY A  68
LEU A 514
 None
 0.96A 2o4nB-1aorA:
0.0		 2o4nB-1aorA:
9.98
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		4 ALA A 337
ILE A  37
GLY A 321
ILE A 322
 None
None
NAP  A   2 ( 3.9A)
None
 0.72A 2o4nB-1bl5A:
undetectable		 2o4nB-1bl5A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)

(Streptomyces
griseus) 		no annotation 5 ARG A 339
ALA A  69
GLY A  19
ILE A  17
LEU A 288
 None
 1.48A 2o4nB-1bwdA:
undetectable		 2o4nB-1bwdA:
13.79
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.
1cn3 COAT PROTEIN VP1

(Polyomavirus
sp.) 		PF00718
(Polyoma_coat) 		4 LEU A 216
ALA A 166
GLY A 241
LEU A 174
 None
 0.59A 2o4nB-1cn3A:
0.0		 2o4nB-1cn3A:
17.20
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.
1cul TYPE II ADENYLYL
CYCLASE

(Rattus
norvegicus) 		PF00211
(Guanylate_cyc) 		5 LEU B 979
ILE B 918
GLY B 941
ILE B 940
LEU B 996
 None
None
None
103  B1082 (-4.9A)
None
 1.13A 2o4nB-1culB:
0.0		 2o4nB-1culB:
18.84
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		4 LEU E 165
GLY E 119
ILE E 120
LEU E   6
 None
 0.78A 2o4nB-1cziE:
6.8		 2o4nB-1cziE:
19.39
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.
1d1n INITIATION FACTOR 2

(Geobacillus
stearothermophilus) 		PF03144
(GTP_EFTU_D2) 		5 LEU A 216
ALA A 151
GLY A 173
ILE A 148
LEU A 198
 None
 1.19A 2o4nB-1d1nA:
0.0		 2o4nB-1d1nA:
19.30
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.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ILE A 368
GLY A 199
ILE A 269
LEU A 362
 None
NAD  A1377 ( 3.7A)
NAD  A1377 (-4.0A)
None
 0.73A 2o4nB-1d1tA:
undetectable		 2o4nB-1d1tA:
14.48
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.
1dub 2-ENOYL-COA
HYDRATASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 ARG A 197
LEU A 139
ILE A 100
GLY A 168
ILE A 165
 CAA  A 300 ( 4.8A)
None
CAA  A 300 (-4.2A)
None
None
 1.21A 2o4nB-1dubA:
undetectable		 2o4nB-1dubA:
16.86
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 LEU A 326
ALA A 379
GLY A 419
ILE A 384
 None
None
None
GOL  A 609 ( 3.9A)
 0.76A 2o4nB-1e1tA:
undetectable		 2o4nB-1e1tA:
13.48
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU A 242
ALA A 173
ILE A 108
GLY A 347
 None
 0.78A 2o4nB-1e5mA:
undetectable		 2o4nB-1e5mA:
11.89
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.
1fdj FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Oryctolagus
cuniculus) 		PF00274
(Glycolytic) 		5 LEU A1062
ALA A1331
ILE A1069
GLY A1028
ILE A1029
 None
 1.37A 2o4nB-1fdjA:
undetectable		 2o4nB-1fdjA:
15.41
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.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 ARG A  71
LEU A  75
ILE A  34
GLY A 109
LEU A  28
 None
None
None
ACY  A 503 (-3.5A)
None
 1.47A 2o4nB-1fu1A:
undetectable		 2o4nB-1fu1A:
22.34
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.
1goj KINESIN HEAVY CHAIN

(Neurospora
crassa) 		PF00225
(Kinesin) 		5 LEU A 172
ASP A 148
ALA A 151
ILE A 175
GLY A 190
 None
 1.35A 2o4nB-1gojA:
undetectable		 2o4nB-1gojA:
15.17
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.
1gyt CYTOSOL
AMINOPEPTIDASE

(Escherichia
coli) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 ARG A 356
ALA A 321
GLY A 296
LEU A 454
 CO3  A 603 (-3.9A)
None
None
None
 0.74A 2o4nB-1gytA:
undetectable		 2o4nB-1gytA:
12.94
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.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 4 LEU A  67
GLY A 102
ILE A  72
LEU A 111
 None
 0.74A 2o4nB-1hlkA:
undetectable		 2o4nB-1hlkA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.80A 2o4nB-1hvcA:
14.0		 2o4nB-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
 0.57A 2o4nB-1hvcA:
14.0		 2o4nB-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
 0.55A 2o4nB-1hvcA:
14.0		 2o4nB-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  50
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 1.30A 2o4nB-1hvcA:
14.0		 2o4nB-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  50
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.22A 2o4nB-1hvcA:
14.0		 2o4nB-1hvcA:
45.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.72A 2o4nB-1hvcA:
14.0		 2o4nB-1hvcA:
45.81
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.
1iap GUANINE NUCLEOTIDE
EXCHANGE FACTOR
P115RHOGEF

(Homo sapiens) 		PF09128
(RGS-like) 		5 LEU A  62
ALA A  67
ILE A 222
GLY A  73
LEU A  59
 None
 1.40A 2o4nB-1iapA:
undetectable		 2o4nB-1iapA:
16.99
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.
1k3v CAPSID PROTEIN VP2

(Ungulate
protoparvovirus
1) 		PF00740
(Parvo_coat) 		5 ARG A 209
LEU A 111
ASP A 113
ALA A 114
GLY A 196
 None
 1.45A 2o4nB-1k3vA:
undetectable		 2o4nB-1k3vA:
11.11
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		4 ARG A 298
ALA A 287
GLY A 244
ILE A 243
 None
 0.77A 2o4nB-1kczA:
undetectable		 2o4nB-1kczA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 LEU A 409
ILE A 438
GLY A 418
LEU A 428
 None
 0.77A 2o4nB-1kspA:
undetectable		 2o4nB-1kspA:
9.65
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 LEU A 170
ALA A 277
GLY A 298
ILE A 232
LEU A 166
 None
 1.29A 2o4nB-1lamA:
undetectable		 2o4nB-1lamA:
12.26
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.
1m0u GST2 GENE PRODUCT

(Drosophila
melanogaster) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 179
ALA A 198
GLY A 204
ILE A 205
LEU A 224
 None
 1.16A 2o4nB-1m0uA:
undetectable		 2o4nB-1m0uA:
16.53
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.
1o6e CAPSID PROTEIN P40

(Human
gammaherpesvirus
4) 		PF00716
(Peptidase_S21) 		5 ARG A 214
LEU A 218
ASP A 221
ILE A 227
GLY A  11
 None
 1.11A 2o4nB-1o6eA:
undetectable		 2o4nB-1o6eA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		4 LEU A 146
GLY A 112
ILE A 111
LEU A 123
 None
 0.60A 2o4nB-1q0uA:
undetectable		 2o4nB-1q0uA:
21.16
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ARG A 287
ASP A 282
ALA A 697
GLY A 726
 None
 0.72A 2o4nB-1q8yA:
undetectable		 2o4nB-1q8yA:
14.84
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 173
ALA A 127
GLY A 420
ILE A 421
LEU A 169
 None
 0.90A 2o4nB-1qgdA:
undetectable		 2o4nB-1qgdA:
9.21
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ARG A 339
ALA A 326
GLY A 579
ILE A 578
LEU A 322
 None
 1.10A 2o4nB-1qhgA:
undetectable		 2o4nB-1qhgA:
9.93
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.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ARG B 306
ILE B 256
GLY D 607
ILE D 608
 None
 0.69A 2o4nB-1qhhB:
undetectable		 2o4nB-1qhhB:
18.72
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.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		4 LEU A  54
ILE A  43
GLY A 184
ILE A 232
 None
 0.75A 2o4nB-1qr7A:
undetectable		 2o4nB-1qr7A:
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 LEU A 168
GLY A 122
ILE A 123
LEU A   8
 None
 0.76A 2o4nB-1qs8A:
6.0		 2o4nB-1qs8A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 ARG A  57
ASP A 255
GLY A  44
ILE A  45
 SO4  A 905 (-3.6A)
None
None
None
 0.73A 2o4nB-1r6aA:
undetectable		 2o4nB-1r6aA:
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LEU A 173
ALA A 127
GLY A 418
LEU A 169
 None
 0.66A 2o4nB-1r9jA:
undetectable		 2o4nB-1r9jA:
8.51
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.
1rkt PROTEIN YFIR

(Bacillus
subtilis) 		PF00440
(TetR_N) 		4 ALA A 202
ILE A  88
GLY A 145
ILE A 146
 None
 0.76A 2o4nB-1rktA:
undetectable		 2o4nB-1rktA:
18.75
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		4 LEU A 447
ILE A 321
GLY A 328
LEU A 451
 None
 0.67A 2o4nB-1ru3A:
undetectable		 2o4nB-1ru3A:
8.93
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.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		4 LEU A  71
ALA A  32
GLY A  42
ILE A  23
 None
 0.68A 2o4nB-1s2tA:
undetectable		 2o4nB-1s2tA:
19.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  32
GLY A  49
 None
 0.70A 2o4nB-1sivA:
18.3		 2o4nB-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 LEU A 220
ASP A 219
ALA A  90
ILE A 186
GLY A  95
 None
 1.17A 2o4nB-1su7A:
undetectable		 2o4nB-1su7A:
10.65
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 280
ALA A 271
ILE A 332
GLY A 252
LEU A 375
 None
 1.38A 2o4nB-1suvA:
undetectable		 2o4nB-1suvA:
8.76
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.
1sva SIMIAN VIRUS 40

(Macaca mulatta
polyomavirus 1) 		PF00718
(Polyoma_coat) 		4 LEU 1 197
ALA 1 153
GLY 1 222
LEU 1 161
 None
 0.75A 2o4nB-1sva1:
undetectable		 2o4nB-1sva1:
13.33
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.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		5 ARG B 285
LEU B 286
ALA A 653
GLY A 561
ILE A 563
 None
 1.18A 2o4nB-1sxjB:
undetectable		 2o4nB-1sxjB:
16.51
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 175
ALA A 129
GLY A 427
ILE A 428
LEU A 171
 None
 0.91A 2o4nB-1tkcA:
undetectable		 2o4nB-1tkcA:
9.29
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.
1tyg YJBS

(Bacillus
subtilis) 		PF02597
(ThiS) 		4 LEU B   2
ASP B  55
ILE B  41
LEU B   4
 None
 0.72A 2o4nB-1tygB:
undetectable		 2o4nB-1tygB:
22.64
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.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		5 ARG A 248
LEU A 233
ALA A 224
ILE A 272
GLY A 389
 None
 1.28A 2o4nB-1u7wA:
undetectable		 2o4nB-1u7wA:
17.86
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.
1uep MEMBRANE ASSOCIATED
GUANYLATE KINASE
INVERTED-2 (MAGI-2)

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  90
ALA A  82
ILE A  65
ILE A  76
LEU A  59
 None
 1.16A 2o4nB-1uepA:
undetectable		 2o4nB-1uepA:
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 LEU A  85
ASP A  82
ILE A  34
GLY A  76
ILE A  71
 None
 1.33A 2o4nB-1uokA:
undetectable		 2o4nB-1uokA:
9.30
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.
1v77 HYPOTHETICAL PROTEIN
PH1877

(Pyrococcus
horikoshii) 		PF01876
(RNase_P_p30) 		4 LEU A 145
ILE A 188
GLY A 128
ILE A 101
 None
 0.71A 2o4nB-1v77A:
undetectable		 2o4nB-1v77A:
17.37
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A 243
GLY A 387
ILE A 350
LEU A 247
 None
 0.72A 2o4nB-1v8bA:
undetectable		 2o4nB-1v8bA:
13.17
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ILE A  69
GLY A 104
ILE A 103
LEU A  86
 None
 0.74A 2o4nB-1w5eA:
undetectable		 2o4nB-1w5eA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5t ORC2

(Aeropyrum
pernix) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 LEU A 314
ALA A 387
GLY A  59
ILE A  58
LEU A 303
 None
 1.47A 2o4nB-1w5tA:
undetectable		 2o4nB-1w5tA:
12.44
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.
1wif RIKEN CDNA
4930408O21

(Mus musculus) 		PF00595
(PDZ) 		4 LEU A  40
GLY A  66
ILE A  67
LEU A  42
 None
 0.70A 2o4nB-1wifA:
undetectable		 2o4nB-1wifA:
25.98
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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		4 LEU A 225
GLY A 216
ILE A 197
LEU A 464
 None
 0.77A 2o4nB-1wleA:
undetectable		 2o4nB-1wleA:
11.04
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii) 		PF00710
(Asparaginase) 		5 LEU A 270
ALA A 287
ILE A 285
GLY A 317
LEU A 280
 None
 1.44A 2o4nB-1wlsA:
undetectable		 2o4nB-1wlsA:
16.50
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 LEU A  74
ALA A  79
GLY A 124
ILE A 126
 None
 0.73A 2o4nB-1wvgA:
undetectable		 2o4nB-1wvgA:
14.33
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.
1wxj TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00290
(Trp_syntA) 		5 LEU A 236
ILE A  62
GLY A  49
ILE A  48
LEU A 232
 None
IPL  A1001 ( 4.2A)
None
None
None
 1.16A 2o4nB-1wxjA:
undetectable		 2o4nB-1wxjA:
17.62
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		4 ASP A 225
ILE A 164
GLY A 340
ILE A 339
 None
 0.66A 2o4nB-1xfiA:
undetectable		 2o4nB-1xfiA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		4 LEU B 111
ILE B  44
GLY B  29
ILE B  28
 None
 0.71A 2o4nB-1y8qB:
undetectable		 2o4nB-1y8qB:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y97 THREE PRIME REPAIR
EXONUCLEASE 2

(Homo sapiens) 		no annotation 4 LEU A 131
ILE A 222
ILE A 112
LEU A 127
 None
 0.77A 2o4nB-1y97A:
undetectable		 2o4nB-1y97A:
16.51
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.
1ydx TYPE I RESTRICTION
ENZYME SPECIFICITY
PROTEIN MG438

(Mycoplasma
genitalium) 		PF01420
(Methylase_S) 		4 LEU A 317
ILE A 323
GLY A 262
ILE A 255
 None
 0.76A 2o4nB-1ydxA:
undetectable		 2o4nB-1ydxA:
13.59
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.
1yfo RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		5 LEU A 415
ASP A 447
ALA A 448
ILE A 485
ILE A 292
 None
 1.48A 2o4nB-1yfoA:
undetectable		 2o4nB-1yfoA:
15.46
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.
1yul PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF01467
(CTP_transf_like) 		4 LEU A  38
ILE A 106
ILE A  86
LEU A   7
 None
 0.76A 2o4nB-1yulA:
undetectable		 2o4nB-1yulA:
19.23
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.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		4 ALA B 337
ILE B 366
GLY B 392
ILE B 391
 None
 0.76A 2o4nB-1zunB:
undetectable		 2o4nB-1zunB:
13.70
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 LEU A 223
ILE A 228
GLY A 178
ILE A 179
 None
 0.75A 2o4nB-2acvA:
undetectable		 2o4nB-2acvA:
14.21
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		4 ILE A 304
GLY A 248
ILE A 249
LEU A 257
 None
 0.77A 2o4nB-2b2iA:
undetectable		 2o4nB-2b2iA:
14.97
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		4 LEU A 257
ILE A 304
GLY A 248
ILE A 249
 None
 0.75A 2o4nB-2b2iA:
undetectable		 2o4nB-2b2iA:
14.97
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A  48
ALA A 178
ILE A 342
GLY A 172
ILE A 171
 None
None
None
None
FAD  A 601 (-4.0A)
 1.41A 2o4nB-2bc0A:
undetectable		 2o4nB-2bc0A:
13.67
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 LEU A 168
ALA A  20
GLY A 122
ILE A 123
LEU A   8
 None
None
IH4  A1330 ( 3.9A)
IH4  A1330 ( 4.4A)
None
 1.27A 2o4nB-2bjuA:
6.2		 2o4nB-2bjuA:
13.41
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		4 ALA A1285
ILE A1258
GLY A1172
ILE A1171
 None
 0.77A 2o4nB-2bruA:
undetectable		 2o4nB-2bruA:
15.17
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.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		5 ALA A  91
ILE A  89
GLY A  62
ILE A  64
LEU A  72
 None
 1.21A 2o4nB-2btdA:
undetectable		 2o4nB-2btdA:
19.10
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.
2c20 UDP-GLUCOSE
4-EPIMERASE

(Bacillus
anthracis) 		PF01370
(Epimerase) 		5 LEU A 101
ALA A  75
GLY A   9
ILE A   6
LEU A  59
 None
NAD  A 401 (-3.7A)
None
None
None
 1.12A 2o4nB-2c20A:
undetectable		 2o4nB-2c20A:
15.94
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.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 436
ALA A 402
GLY A 341
ILE A 409
LEU A 439
 None
 1.48A 2o4nB-2cduA:
undetectable		 2o4nB-2cduA:
12.10
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.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		5 LEU A  10
ALA A 301
ILE A 267
GLY A 193
ILE A  50
 None
 1.50A 2o4nB-2ddtA:
undetectable		 2o4nB-2ddtA:
17.21
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.
2deo 441AA LONG
HYPOTHETICAL NFED
PROTEIN

(Pyrococcus
horikoshii) 		PF00574
(CLP_protease) 		5 LEU A 150
ALA A 161
ILE A 165
GLY A 118
ILE A 117
 None
 1.46A 2o4nB-2deoA:
undetectable		 2o4nB-2deoA:
23.00
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.
2dg8 PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ARG A  34
LEU A  21
ALA A  60
ILE A  14
ILE A  53
 None
 1.38A 2o4nB-2dg8A:
undetectable		 2o4nB-2dg8A:
21.43
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.
2drq XYLANASE Y

(Bacillus
halodurans) 		PF01270
(Glyco_hydro_8) 		5 ARG A 266
LEU A 364
ASP A 361
ILE A  48
GLY A  63
 None
 1.18A 2o4nB-2drqA:
undetectable		 2o4nB-2drqA:
13.30
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		4 LEU A 148
ILE A 247
GLY A 235
ILE A 234
 None
None
None
NAP  A 476 (-3.8A)
 0.66A 2o4nB-2euhA:
undetectable		 2o4nB-2euhA:
12.64
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 LEU A 131
ALA A 185
GLY A 154
ILE A 153
LEU A 238
 None
 1.30A 2o4nB-2ewnA:
undetectable		 2o4nB-2ewnA:
21.13
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.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		4 ALA A 101
ILE A  70
GLY A 110
ILE A 109
 None
 0.68A 2o4nB-2f1kA:
undetectable		 2o4nB-2f1kA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ILE A 298
GLY A 210
ILE A 212
LEU A 304
 None
 0.68A 2o4nB-2f9gA:
undetectable		 2o4nB-2f9gA:
13.68
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.
2fhe GLUTATHIONE
S-TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 LEU A 175
ILE A 182
ILE A  94
LEU A 158
 None
 0.77A 2o4nB-2fheA:
undetectable		 2o4nB-2fheA:
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
 0.50A 2o4nB-2fmbA:
15.0		 2o4nB-2fmbA:
29.81
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		4 LEU A 499
GLY A 508
ILE A 507
LEU A 492
 None
 0.68A 2o4nB-2gj4A:
undetectable		 2o4nB-2gj4A:
8.68
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.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		4 ALA A 313
ILE A 316
GLY A 279
ILE A 278
 None
 0.76A 2o4nB-2gp4A:
undetectable		 2o4nB-2gp4A:
10.57
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.
2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE

(Thermus
caldophilus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 ALA A  79
ILE A 160
GLY A  45
LEU A 155
 FAD  A 601 ( 4.2A)
FAD  A 601 (-4.7A)
FAD  A 601 (-3.1A)
None
 0.66A 2o4nB-2gqtA:
undetectable		 2o4nB-2gqtA:
15.59
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.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY

(Rhodobacter
sphaeroides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A   9
ILE A 106
GLY A  40
ILE A  39
LEU A  72
 None
 1.46A 2o4nB-2hzgA:
undetectable		 2o4nB-2hzgA:
13.44
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		4 ILE A  88
GLY A  11
ILE A  20
LEU A  66
 None
 0.77A 2o4nB-2i5bA:
undetectable		 2o4nB-2i5bA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ibp CITRATE SYNTHASE

(Pyrobaculum
aerophilum) 		PF00285
(Citrate_synt) 		5 ARG A 202
LEU A 206
ILE A 366
GLY A 350
ILE A 351
 None
 1.41A 2o4nB-2ibpA:
undetectable		 2o4nB-2ibpA:
14.88
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.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		5 LEU A  59
ASP A  88
ILE A  15
GLY A 113
ILE A 114
 None
 1.31A 2o4nB-2imhA:
undetectable		 2o4nB-2imhA:
18.22
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.
2iqt FRUCTOSE-BISPHOSPHAT
E ALDOLASE CLASS 1

(Porphyromonas
gingivalis) 		PF00274
(Glycolytic) 		5 ARG A  10
ILE A 174
GLY A  70
ILE A  69
LEU A 231
 None
 1.46A 2o4nB-2iqtA:
undetectable		 2o4nB-2iqtA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iut DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 ARG A 398
LEU A 672
ILE A 650
GLY A 444
LEU A 679
 None
 1.36A 2o4nB-2iutA:
undetectable		 2o4nB-2iutA:
11.82
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.
2iuu DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 ARG A 398
LEU A 672
ILE A 650
GLY A 444
LEU A 679
 None
 1.33A 2o4nB-2iuuA:
undetectable		 2o4nB-2iuuA:
13.33
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.
2jbh PHOSPHORIBOSYLTRANSF
ERASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00156
(Pribosyltran) 		5 LEU A  56
ILE A  92
GLY A  65
ILE A  64
LEU A  85
 None
None
None
None
CAS  A  82 ( 4.5A)
 1.15A 2o4nB-2jbhA:
undetectable		 2o4nB-2jbhA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kep GENERAL SECRETION
PATHWAY PROTEIN G

(Pseudomonas
aeruginosa) 		PF08334
(T2SSG) 		5 LEU A 103
ASP A  53
ALA A  50
GLY A 144
LEU A 100
 None
 1.36A 2o4nB-2kepA:
undetectable		 2o4nB-2kepA:
25.00
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.
2l4c ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 27

(Homo sapiens) 		PF13848
(Thioredoxin_6) 		4 LEU A  50
GLY A  78
ILE A  76
LEU A 107
 None
 0.75A 2o4nB-2l4cA:
undetectable		 2o4nB-2l4cA:
19.35