SIMILAR PATTERNS OF AMINO ACIDS FOR 2O4N_A_TPVA300_1

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