SIMILAR PATTERNS OF AMINO ACIDS FOR 4XE0_A_40LA1101_0

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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 PRO A 318
ILE A 311
VAL A 304
ASP A 323
ILE A 334
 None
 1.26A 4xe0A-1amyA:
2.2		 4xe0A-1amyA:
17.41
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.
1cja PROTEIN
(ACTIN-FRAGMIN
KINASE)

(Physarum
polycephalum) 		PF09192
(Act-Frag_cataly) 		5 THR A 169
ASN A 171
MET A 220
ILE A 231
ASP A 232
 AMP  A 425 ( 4.3A)
None
AMP  A 425 ( 4.0A)
AMP  A 425 (-4.4A)
AMP  A 425 (-2.7A)
 1.47A 4xe0A-1cjaA:
6.9		 4xe0A-1cjaA:
18.96
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 ILE A 255
VAL A 250
THR A 202
ASN A 176
ASP A 219
 SAH  A1699 (-4.9A)
None
None
None
SAH  A1699 (-2.9A)
 1.46A 4xe0A-1fp2A:
undetectable		 4xe0A-1fp2A:
16.68
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.
1fts FTSY

(Escherichia
coli) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 ILE A 368
VAL A 363
ASP A 382
THR A 383
ILE A 400
 None
 1.31A 4xe0A-1ftsA:
undetectable		 4xe0A-1ftsA:
16.52
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 ILE A 196
VAL A  98
ASP A 167
ASN A 137
ILE A 179
 None
None
CA  A 492 (-2.3A)
None
None
 1.31A 4xe0A-1jxkA:
undetectable		 4xe0A-1jxkA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o6u SEC14-LIKE PROTEIN 2

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		5 ILE A 258
VAL A 237
ASP A  92
THR A 150
ILE A 152
 None
 1.44A 4xe0A-1o6uA:
undetectable		 4xe0A-1o6uA:
18.67
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.
1o6u SEC14-LIKE PROTEIN 2

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		5 TYR A 241
VAL A 237
ASP A  92
THR A 150
ILE A 152
 None
 1.40A 4xe0A-1o6uA:
undetectable		 4xe0A-1o6uA:
18.67
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 PRO A 604
VAL A 584
ASP A 578
ASN A 574
ILE A 616
 None
 1.14A 4xe0A-1ofeA:
undetectable		 4xe0A-1ofeA:
22.42
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 ILE A 196
VAL A  98
ASP A 167
ASN A 137
ILE A 179
 None
None
CA  A 500 ( 2.2A)
None
None
 1.36A 4xe0A-1oseA:
undetectable		 4xe0A-1oseA:
18.16
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 ILE A 106
VAL A  18
ASP A  50
ILE A  75
ASP A  96
 None
 1.33A 4xe0A-1p2fA:
undetectable		 4xe0A-1p2fA:
12.17
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 186
ASP A 258
ASN A 260
MET A 262
ILE A 272
 None
 1.20A 4xe0A-1q1nA:
undetectable		 4xe0A-1q1nA:
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 ILE A  80
VAL A  28
ASP A  31
ASN A  32
ILE A  42
 None
 1.11A 4xe0A-1zjrA:
undetectable		 4xe0A-1zjrA:
12.97
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 PRO A 320
ILE A 313
VAL A 306
ASP A 325
ILE A 336
 None
 1.35A 4xe0A-2qpsA:
undetectable		 4xe0A-2qpsA:
16.90
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.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ILE A 726
TYR A 687
VAL A 763
ASP A 650
THR A 655
 None
None
None
None
CA  A1770 (-3.8A)
 1.29A 4xe0A-2v5dA:
2.0		 4xe0A-2v5dA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x6k PHOSPHOTIDYLINOSITOL
3 KINASE 59F

(Drosophila
melanogaster) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		6 PRO A 679
ILE A 696
TYR A 732
VAL A 747
THR A 751
ILE A 822
 None
None
X6K  A1951 ( 4.3A)
X6K  A1951 (-4.1A)
None
X6K  A1951 (-4.1A)
 0.56A 4xe0A-2x6kA:
28.5		 4xe0A-2x6kA:
26.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		5 ILE A 845
VAL A 848
THR A 853
MET A 920
ILE A 930
 GD9  A2058 (-3.8A)
GD9  A2058 (-3.8A)
GD9  A2058 ( 4.8A)
GD9  A2058 (-3.6A)
GD9  A2058 (-4.2A)
 1.01A 4xe0A-2y3aA:
38.7		 4xe0A-2y3aA:
51.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		6 MET A 773
PRO A 779
TYR A 833
ASP A 856
MET A 920
ILE A 930
 GD9  A2058 (-4.3A)
None
GD9  A2058 (-3.8A)
GD9  A2058 ( 4.6A)
GD9  A2058 (-3.6A)
GD9  A2058 (-4.2A)
 1.46A 4xe0A-2y3aA:
38.7		 4xe0A-2y3aA:
51.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		6 MET A 773
PRO A 779
TYR A 833
VAL A 848
MET A 920
ILE A 930
 GD9  A2058 (-4.3A)
None
GD9  A2058 (-3.8A)
GD9  A2058 (-3.8A)
GD9  A2058 (-3.6A)
GD9  A2058 (-4.2A)
 0.99A 4xe0A-2y3aA:
38.7		 4xe0A-2y3aA:
51.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		7 PRO A 779
ILE A 797
TYR A 833
ASP A 856
THR A 853
MET A 920
ILE A 930
 None
None
GD9  A2058 (-3.8A)
GD9  A2058 ( 4.6A)
GD9  A2058 ( 4.8A)
GD9  A2058 (-3.6A)
GD9  A2058 (-4.2A)
 1.25A 4xe0A-2y3aA:
38.7		 4xe0A-2y3aA:
51.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		7 PRO A 779
ILE A 797
TYR A 833
VAL A 848
THR A 853
MET A 920
ILE A 930
 None
None
GD9  A2058 (-3.8A)
GD9  A2058 (-3.8A)
GD9  A2058 ( 4.8A)
GD9  A2058 (-3.6A)
GD9  A2058 (-4.2A)
 0.66A 4xe0A-2y3aA:
38.7		 4xe0A-2y3aA:
51.44
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.
2yvu PROBABLE
ADENYLYL-SULFATE
KINASE

(Aeropyrum
pernix) 		PF01583
(APS_kinase) 		5 PRO A 113
ILE A  14
TYR A  42
VAL A  44
ILE A  10
 None
 1.48A 4xe0A-2yvuA:
undetectable		 4xe0A-2yvuA:
12.72
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.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		5 ILE A  38
VAL A  41
ASP A 360
THR A 346
ASN A 348
 None
 1.46A 4xe0A-3a9gA:
undetectable		 4xe0A-3a9gA:
16.45
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 ILE A 220
ASP A 485
THR A 476
ILE A 252
ASP A 449
 None
 1.44A 4xe0A-3c9fA:
undetectable		 4xe0A-3c9fA:
20.21
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.
3crw XPD/RAD3 RELATED DNA
HELICASE

(Sulfolobus
acidocaldarius) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		5 MET 1 331
PRO 1 326
TYR 1 156
ASN 1 312
ILE 1 179
 None
 1.21A 4xe0A-3crw1:
undetectable		 4xe0A-3crw1:
20.54
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.
3crw XPD/RAD3 RELATED DNA
HELICASE

(Sulfolobus
acidocaldarius) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		5 MET 1 331
TYR 1 156
VAL 1 188
ASN 1 312
ILE 1 179
 None
 1.42A 4xe0A-3crw1:
undetectable		 4xe0A-3crw1:
20.54
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.
3ctm CARBONYL REDUCTASE

(Candida
parapsilosis) 		PF13561
(adh_short_C2) 		5 ILE A 272
TYR A 254
VAL A 251
THR A 221
ILE A  46
 None
 1.44A 4xe0A-3ctmA:
undetectable		 4xe0A-3ctmA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ec1 YQEH GTPASE

(Geobacillus
stearothermophilus) 		PF01926
(MMR_HSR1) 		5 ILE A 101
VAL A 165
ASP A 218
THR A 219
ILE A  68
 None
 1.34A 4xe0A-3ec1A:
undetectable		 4xe0A-3ec1A:
16.65
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.
3eh0 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		5 PRO A  96
VAL A 207
ASP A 232
ASN A 233
ILE A 172
 None
 1.36A 4xe0A-3eh0A:
undetectable		 4xe0A-3eh0A:
14.86
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 PRO A 309
VAL A 320
THR A 251
ASN A 248
ILE A 280
 None
 1.50A 4xe0A-3g05A:
undetectable		 4xe0A-3g05A:
19.67
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		5 ILE A2237
VAL A2240
THR A2245
MET A2345
ILE A2356
 ADP  A2601 (-4.8A)
ADP  A2601 (-4.1A)
ADP  A2601 (-4.1A)
ADP  A2601 ( 4.1A)
ADP  A2601 (-4.0A)
 1.07A 4xe0A-3jbzA:
19.9		 4xe0A-3jbzA:
22.33
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		6 PRO A2169
TYR A2225
VAL A2240
ASP A2244
MET A2345
ILE A2356
 None
ADP  A2601 ( 3.8A)
ADP  A2601 (-4.1A)
None
ADP  A2601 ( 4.1A)
ADP  A2601 (-4.0A)
 0.90A 4xe0A-3jbzA:
19.9		 4xe0A-3jbzA:
22.33
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		6 PRO A2169
TYR A2225
VAL A2240
THR A2245
MET A2345
ILE A2356
 None
ADP  A2601 ( 3.8A)
ADP  A2601 (-4.1A)
ADP  A2601 (-4.1A)
ADP  A2601 ( 4.1A)
ADP  A2601 (-4.0A)
 0.54A 4xe0A-3jbzA:
19.9		 4xe0A-3jbzA:
22.33
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.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 VAL A 228
THR A 221
ASN A 222
ILE A 246
ASP A 243
 None
 1.47A 4xe0A-3lftA:
undetectable		 4xe0A-3lftA:
15.19
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.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		5 PRO A 212
ILE A 183
VAL A 180
ASP A 241
ASN A 141
 None
 1.28A 4xe0A-3lzxA:
undetectable		 4xe0A-3lzxA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 ILE A 174
TYR A 127
ASP A  63
THR A  64
ILE A  55
 None
 1.41A 4xe0A-3menA:
undetectable		 4xe0A-3menA:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3my7 ALCOHOL
DEHYDROGENASE/ACETAL
DEHYDE DEHYDROGENASE

(Vibrio
parahaemolyticus) 		PF00171
(Aldedh) 		5 PRO A 218
ILE A 253
VAL A 255
THR A 374
ASN A 398
 None
 1.49A 4xe0A-3my7A:
undetectable		 4xe0A-3my7A:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 ILE A 879
VAL A 882
THR A 887
MET A 953
ILE A 963
 NZU  A   1 (-4.2A)
NZU  A   1 (-3.9A)
NZU  A   1 (-3.8A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.7A)
 0.98A 4xe0A-3nzuA:
33.3		 4xe0A-3nzuA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		6 MET A 804
PRO A 810
TYR A 867
VAL A 882
MET A 953
ILE A 963
 NZU  A   1 (-4.7A)
None
NZU  A   1 (-3.5A)
NZU  A   1 (-3.9A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.7A)
 1.29A 4xe0A-3nzuA:
33.3		 4xe0A-3nzuA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 PRO A 810
ILE A 831
THR A 887
ILE A 963
ASP A 964
 None
NZU  A   1 (-4.9A)
NZU  A   1 (-3.8A)
NZU  A   1 (-3.7A)
NZU  A   1 (-4.1A)
 0.87A 4xe0A-3nzuA:
33.3		 4xe0A-3nzuA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		8 PRO A 810
TRP A 812
ILE A 831
TYR A 867
VAL A 882
THR A 887
MET A 953
ILE A 963
 None
None
NZU  A   1 (-4.9A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.9A)
NZU  A   1 (-3.8A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.7A)
 0.46A 4xe0A-3nzuA:
33.3		 4xe0A-3nzuA:
35.86
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.
3ouu BIOTIN CARBOXYLASE

(Campylobacter
jejuni) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 132
VAL A 279
ASP A 436
THR A 437
ASN A 438
 ANP  A 460 (-4.2A)
None
None
ANP  A 460 (-3.5A)
None
 1.06A 4xe0A-3ouuA:
undetectable		 4xe0A-3ouuA:
18.74
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.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		5 ILE A 265
TYR A  23
THR A  44
ASN A 251
ILE A   9
 None
 1.47A 4xe0A-3pb0A:
undetectable		 4xe0A-3pb0A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		5 PRO A 214
TYR A  23
THR A  44
ASN A 251
ILE A   9
 None
 1.39A 4xe0A-3pb0A:
undetectable		 4xe0A-3pb0A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnn CONSERVED DOMAIN
PROTEIN

(Porphyromonas
gingivalis) 		no annotation 5 ILE A  52
VAL A   7
ASP A 121
MET A  33
ILE A  64
 None
None
GOL  A 301 ( 2.8A)
None
None
 1.28A 4xe0A-3pnnA:
undetectable		 4xe0A-3pnnA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 PRO A 115
ILE A  90
VAL A  62
ASP A  65
THR A  66
 None
 1.15A 4xe0A-3td9A:
undetectable		 4xe0A-3td9A:
15.96
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.
3ul4 CELLULOSOME-ANCHORIN
G PROTEIN
CELLULOSOME ENZYME,
DOCKERIN TYPE I

(Ruminiclostridium
thermocellum;
Ruminiclostridium
thermocellum) 		PF00963
(Cohesin)
PF00404
(Dockerin_1) 		5 PRO A 137
TYR A  84
ASP B  51
THR B  50
ASN B  42
 None
None
CA  B  66 (-2.2A)
None
CA  B  66 (-3.0A)
 1.42A 4xe0A-3ul4A:
undetectable		 4xe0A-3ul4A:
10.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 ILE A 845
VAL A 848
THR A 853
MET A 920
ILE A 930
 J82  A2000 ( 4.4A)
J82  A2000 (-3.8A)
None
J82  A2000 (-3.6A)
J82  A2000 (-3.6A)
 1.08A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		6 MET A 773
PRO A 779
TRP A 781
ILE A 797
ASP A 856
ASP A 931
 J82  A2000 (-3.9A)
J82  A2000 (-4.5A)
None
J82  A2000 (-4.4A)
None
J82  A2000 (-4.9A)
 1.02A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		6 MET A 773
PRO A 779
TRP A 781
ILE A 797
ASP A 856
ILE A 930
 J82  A2000 (-3.9A)
J82  A2000 (-4.5A)
None
J82  A2000 (-4.4A)
None
J82  A2000 (-3.6A)
 1.05A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		6 MET A 773
PRO A 779
TRP A 781
ILE A 797
TYR A 833
ILE A 930
 J82  A2000 (-3.9A)
J82  A2000 (-4.5A)
None
J82  A2000 (-4.4A)
J82  A2000 (-3.7A)
J82  A2000 (-3.6A)
 0.90A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		6 PRO A 779
TRP A 781
ILE A 797
ASP A 856
THR A 853
ASP A 931
 J82  A2000 (-4.5A)
None
J82  A2000 (-4.4A)
None
None
J82  A2000 (-4.9A)
 1.40A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		7 PRO A 779
TRP A 781
ILE A 797
ASP A 856
THR A 853
MET A 920
ILE A 930
 J82  A2000 (-4.5A)
None
J82  A2000 (-4.4A)
None
None
J82  A2000 (-3.6A)
J82  A2000 (-3.6A)
 1.28A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		7 PRO A 779
TRP A 781
ILE A 797
TYR A 833
THR A 853
MET A 920
ILE A 930
 J82  A2000 (-4.5A)
None
J82  A2000 (-4.4A)
J82  A2000 (-3.7A)
None
J82  A2000 (-3.6A)
J82  A2000 (-3.6A)
 0.79A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		7 TRP A 781
ILE A 797
TYR A 833
VAL A 848
THR A 853
MET A 920
ILE A 930
 None
J82  A2000 (-4.4A)
J82  A2000 (-3.7A)
J82  A2000 (-3.8A)
None
J82  A2000 (-3.6A)
J82  A2000 (-3.6A)
 0.75A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 TYR A 833
VAL A 847
THR A 853
MET A 920
ILE A 930
 J82  A2000 (-3.7A)
J82  A2000 (-3.7A)
None
J82  A2000 (-3.6A)
J82  A2000 (-3.6A)
 1.38A 4xe0A-4bfrA:
40.7		 4xe0A-4bfrA:
57.19
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.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		5 PRO A 269
TYR A  87
THR A 108
ASN A 300
ILE A  72
 None
 1.44A 4xe0A-4dppA:
undetectable		 4xe0A-4dppA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 PRO A 231
TYR A  49
THR A  70
ASN A 262
ILE A  34
 None
None
KPI  A 184 ( 3.8A)
None
None
 1.37A 4xe0A-4hnnA:
undetectable		 4xe0A-4hnnA:
15.63
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.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		5 PRO A 289
ILE A 274
VAL A 219
ASP A 179
ASN A 181
 None
 1.39A 4xe0A-4hw6A:
undetectable		 4xe0A-4hw6A:
16.07
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  64
VAL A  38
ASP A 106
ASN A  87
ILE A  71
 None
 1.23A 4xe0A-4jhmA:
undetectable		 4xe0A-4jhmA:
16.70
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.
4kk7 ESX-1 SECRETION
SYSTEM PROTEIN ECCB1

(Mycobacterium
tuberculosis) 		PF05108
(T7SS_ESX1_EccB) 		5 PRO A 449
ILE A 130
VAL A 104
THR A 425
ASN A 422
 None
 1.43A 4xe0A-4kk7A:
undetectable		 4xe0A-4kk7A:
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.
4mzv EPITHELIAL CELL
ADHESION MOLECULE

(Homo sapiens) 		PF00086
(Thyroglobulin_1) 		5 ILE A 146
ASP A 253
THR A 141
ASN A 120
ILE A 209
 DMU  A 301 (-4.6A)
None
None
None
None
 0.96A 4xe0A-4mzvA:
undetectable		 4xe0A-4mzvA:
14.50
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.
4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Burkholderia
multivorans) 		PF13394
(Fer4_14) 		5 MET A  95
PRO A  94
VAL A  71
ASP A 104
ILE A 113
 None
 1.42A 4xe0A-4njiA:
undetectable		 4xe0A-4njiA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 ILE Y  68
VAL Y  81
ASP Y  55
THR Y  33
ILE Y  39
 None
None
SFG  Y 301 (-2.8A)
None
None
 1.38A 4xe0A-4ox9Y:
undetectable		 4xe0A-4ox9Y:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 MET A2289
TYR A2376
THR A2277
ASN A2278
ILE A2318
 None
 1.35A 4xe0A-4tvcA:
2.3		 4xe0A-4tvcA:
20.70
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.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		5 ILE A 239
VAL A 203
ASN A 121
ILE A  54
ASP A 234
 None
 1.44A 4xe0A-4xfwA:
undetectable		 4xe0A-4xfwA:
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(uncultured
bacterium;
Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		5 PRO A 111
ILE A 153
TYR A 199
VAL A 184
THR A 229
 None
 1.41A 4xe0A-4xzwA:
undetectable		 4xe0A-4xzwA:
15.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		5 ILE A1848
VAL A1851
THR A1856
MET A1922
ILE A1932
 4EL  A2101 (-3.9A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
 1.19A 4xe0A-4yknA:
31.3		 4xe0A-4yknA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		7 MET A1772
PRO A1778
TYR A1836
VAL A1851
THR A1856
MET A1922
ILE A1932
 4EL  A2101 (-4.6A)
4EL  A2101 (-4.2A)
4EL  A2101 (-4.1A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
 1.06A 4xe0A-4yknA:
31.3		 4xe0A-4yknA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		8 PRO A1778
TRP A1780
ILE A1800
TYR A1836
VAL A1851
THR A1856
MET A1922
ILE A1932
 4EL  A2101 (-4.2A)
None
4EL  A2101 ( 4.4A)
4EL  A2101 (-4.1A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
 0.44A 4xe0A-4yknA:
31.3		 4xe0A-4yknA:
32.46
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.
4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT

(Sulfurisphaera
tokodaii) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 MET B 126
ILE B 164
ASP B 118
THR B  91
ILE B  80
 None
None
FAD  B 301 (-3.7A)
None
None
 1.37A 4xe0A-4zohB:
2.0		 4xe0A-4zohB:
14.82
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 PRO A  98
ILE A  97
TYR A 698
ASN A  72
ASP A 108
 None
None
None
None
RDF  A 802 (-3.7A)
 1.35A 4xe0A-4zr5A:
3.1		 4xe0A-4zr5A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c4g PHOSPHATIDYLINOSITOL
4-KINASE BETA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		5 PRO E 381
ILE E 547
TYR E 583
VAL E 598
ILE E 673
 BQR  E 803 ( 4.7A)
BQR  E 803 ( 4.7A)
BQR  E 803 ( 3.0A)
BQR  E 803 (-3.8A)
BQR  E 803 ( 3.9A)
 0.63A 4xe0A-5c4gE:
15.6		 4xe0A-5c4gE:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 TRP A 392
TYR A 252
VAL A 255
ASP A 263
THR A 261
 None
 1.50A 4xe0A-5fq6A:
undetectable		 4xe0A-5fq6A:
18.68
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		5 VAL A 525
ASP A 514
ASN A 595
MET A 513
ILE A 582
 None
None
CA  A 702 (-2.9A)
None
None
 1.47A 4xe0A-5gy0A:
undetectable		 4xe0A-5gy0A:
21.36
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.
5ip7 DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC1

(Saccharomyces
cerevisiae) 		PF01191
(RNA_pol_Rpb5_C)
PF03871
(RNA_pol_Rpb5_N) 		5 PRO E 151
ILE E 198
VAL E 195
ILE E 178
ASP E 182
 None
 1.49A 4xe0A-5ip7E:
undetectable		 4xe0A-5ip7E:
12.46
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 PRO A 435
ILE A 451
TYR A  71
ASN A  54
ILE A  25
 None
None
None
FAD  A 601 (-3.5A)
None
 1.18A 4xe0A-5j7xA:
undetectable		 4xe0A-5j7xA:
19.81
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.
5m0y CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION
IG DOMAIN PROTEIN
GROUP 2 DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum;
Ruminiclostridium
thermocellum) 		PF00963
(Cohesin)
no annotation 		5 PRO A  79
ILE A 132
TYR A  57
VAL A  56
ASN B 158
 None
None
None
None
EDO  A 203 ( 4.8A)
 1.48A 4xe0A-5m0yA:
undetectable		 4xe0A-5m0yA:
12.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m6u PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		9 MET A 752
PRO A 758
TRP A 760
TYR A 813
VAL A 828
ASP A 832
THR A 833
MET A 900
ILE A 910
 7KA  A1101 ( 4.5A)
7KA  A1101 (-4.3A)
None
7KA  A1101 (-3.5A)
7KA  A1101 (-4.1A)
7KA  A1101 (-3.7A)
7KA  A1101 ( 4.4A)
7KA  A1101 (-3.6A)
7KA  A1101 (-3.7A)
 0.36A 4xe0A-5m6uA:
50.1		 4xe0A-5m6uA:
94.47
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.
5nci LEUCINE HYDROXYLASE

(Streptomyces
muensis) 		PF05721
(PhyH) 		5 TRP A 116
TYR A 228
VAL A 128
ASN A  97
ILE A 226
 LEU  A 303 (-3.4A)
None
None
AKG  A 302 (-3.3A)
None
 1.24A 4xe0A-5nciA:
undetectable		 4xe0A-5nciA:
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		5 MET C  94
PRO C  93
ILE C  55
ASP C 114
ILE C 195
 None
None
None
K  C 301 (-4.0A)
None
 1.40A 4xe0A-5osnC:
undetectable		 4xe0A-5osnC:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		5 ILE A 324
TYR A 440
THR A 430
ASN A 279
ILE A 247
 None
 1.42A 4xe0A-5t6oA:
undetectable		 4xe0A-5t6oA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ui3 DIHYDRODIPICOLINATE
SYNTHASE

(Chlamydomonas
reinhardtii) 		no annotation 5 PRO D 229
TYR D  47
THR D  68
ASN D 260
ILE D  32
 None
None
AKG  D 401 (-3.6A)
AKG  D 401 (-3.8A)
None
 1.32A 4xe0A-5ui3D:
undetectable		 4xe0A-5ui3D:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 ILE A 848
VAL A 851
THR A 856
MET A 922
ILE A 932
 84X  A1101 ( 4.3A)
84X  A1101 (-3.7A)
None
84X  A1101 ( 4.3A)
84X  A1101 ( 3.8A)
 1.13A 4xe0A-5xgjA:
41.1		 4xe0A-5xgjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 PRO A 778
TRP A 780
ILE A 800
TYR A 836
ILE A 932
 84X  A1101 (-4.3A)
None
None
84X  A1101 (-4.4A)
84X  A1101 ( 3.8A)
 0.81A 4xe0A-5xgjA:
41.1		 4xe0A-5xgjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 7 TRP A 780
ILE A 800
TYR A 836
VAL A 851
THR A 856
MET A 922
ILE A 932
 None
None
84X  A1101 (-4.4A)
84X  A1101 (-3.7A)
None
84X  A1101 ( 4.3A)
84X  A1101 ( 3.8A)
 0.63A 4xe0A-5xgjA:
41.1		 4xe0A-5xgjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 PRO C3735
ASP C3814
THR C3811
MET C3929
ASP C3941
 None
 1.42A 4xe0A-5y3rC:
undetectable		 4xe0A-5y3rC:
12.11
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 PRO C3735
ILE C3803
THR C3809
ILE C3940
ASP C3941
 None
 1.41A 4xe0A-5y3rC:
undetectable		 4xe0A-5y3rC:
12.11
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 TYR A2164
ASP A2183
THR A2184
MET A2284
ILE A2295
 None
 1.45A 4xe0A-6emkA:
undetectable		 4xe0A-6emkA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gl3 -

(-) 		no annotation 5 PRO A 396
ILE A 562
TYR A 598
VAL A 613
ILE A 688
 None
None
EMW  A 801 (-3.5A)
EMW  A 801 (-4.1A)
EMW  A 801 (-3.5A)
 0.57A 4xe0A-6gl3A:
undetectable		 4xe0A-6gl3A:
undetectable