SIMILAR PATTERNS OF AMINO ACIDS FOR 1X70_A_715A801_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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 152
VAL A 164
TYR A 251
TYR A 154
VAL A 160
 FAD  A 600 (-2.5A)
None
FAD  A 600 (-4.5A)
FAD  A 600 (-3.7A)
FAD  A 600 (-3.4A)
 1.29A 1x70A-1bhyA:
undetectable		 1x70A-1bhyA:
20.64
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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 TYR A 218
VAL A 151
TYR A 166
TYR A 210
VAL A 170
 None
 1.41A 1x70A-1jnyA:
2.9		 1x70A-1jnyA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		5 TYR A 210
TYR A 380
ASN A 470
VAL A 471
HIS A 498
 None
 0.53A 1x70A-1lnsA:
7.8		 1x70A-1lnsA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1szb MANNOSE BINDING
LECTIN-ASSOCIATED
SERINE PROTEASE-2
RELATED PROTEIN,
MAP19 (19KDA)

(Homo sapiens) 		PF00431
(CUB)
PF07645
(EGF_CA) 		5 GLU A  52
SER A  54
PHE A  61
TYR A  24
ASN A 108
 GLU  A  52 (-0.6A)
SER  A  54 ( 0.0A)
PHE  A  61 ( 1.3A)
TYR  A  24 ( 1.3A)
ASN  A 108 (-0.6A)
 1.05A 1x70A-1szbA:
undetectable		 1x70A-1szbA:
11.93
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.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		5 GLU A 152
GLU A 128
PHE A 179
VAL A 213
VAL A 210
 None
 1.14A 1x70A-1t0bA:
2.0		 1x70A-1t0bA:
15.83
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.38A 1x70A-1t3qB:
undetectable		 1x70A-1t3qB:
21.49
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.
1yb0 PROPHAGE LAMBDABA02,
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE,
FAMILY 2

(Bacillus
anthracis) 		PF01510
(Amidase_2) 		5 GLU A 105
TYR A 101
TYR A 102
ASN A  30
HIS A 139
 None
 1.08A 1x70A-1yb0A:
2.0		 1x70A-1yb0A:
12.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		10 ARG A 123
GLU A 203
GLU A 204
TYR A 541
VAL A 650
TYR A 656
TYR A 660
ASN A 704
VAL A 705
HIS A 734
 None
 0.54A 1x70A-1z68A:
48.8		 1x70A-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 ARG A 123
GLU A 204
PHE A 351
TYR A 656
ASN A 704
VAL A 705
HIS A 734
 None
 1.46A 1x70A-1z68A:
48.8		 1x70A-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 ARG A 123
PHE A 350
TYR A 541
VAL A 650
TYR A 660
HIS A 734
 None
 1.03A 1x70A-1z68A:
48.8		 1x70A-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		12 ARG A 125
GLU A 205
GLU A 206
SER A 209
PHE A 357
TYR A 547
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.4A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.33A 1x70A-2bucA:
56.4		 1x70A-2bucA:
88.05
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 TYR A 518
VAL A 629
TYR A 635
TYR A 639
VAL A 681
HIS A 710
 None
 0.37A 1x70A-2d5lA:
33.1		 1x70A-2d5lA:
26.87
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		8 GLU A 207
TYR A 524
VAL A 636
TYR A 642
TYR A 646
ASN A 687
VAL A 688
HIS A 717
 None
 0.66A 1x70A-2ecfA:
35.2		 1x70A-2ecfA:
28.87
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.
2g1l KINESIN-LIKE PROTEIN
KIF1C

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 GLU A 512
SER A 511
VAL A 588
ASN A 505
VAL A 594
 None
 1.48A 1x70A-2g1lA:
2.3		 1x70A-2g1lA:
9.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		12 ARG A 125
GLU A 205
GLU A 206
SER A 209
PHE A 357
TYR A 547
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 ACF  A 800 (-3.4A)
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
None
ACF  A 800 (-4.5A)
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
ACF  A 800 (-3.3A)
None
None
 0.26A 1x70A-2g5tA:
58.6		 1x70A-2g5tA:
99.86
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.
2m3k MINOR PILIN COMP

(Neisseria
meningitidis) 		PF16732
(ComP_DUS) 		5 GLU A  87
SER A  65
TYR A  27
ASN A  86
VAL A  90
 None
 1.27A 1x70A-2m3kA:
undetectable		 1x70A-2m3kA:
10.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 123
GLU A 203
GLU A 204
PHE A 355
TYR A 548
VAL A 657
TYR A 663
TYR A 667
ASN A 711
VAL A 712
HIS A 741
 SO4  A 801 ( 3.1A)
AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
AIL  A 901 (-3.7A)
SO4  A 801 (-4.3A)
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.8A)
AIL  A 901 (-3.1A)
AIL  A 901 (-4.9A)
SO4  A 801 (-4.1A)
 0.37A 1x70A-2oaeA:
52.5		 1x70A-2oaeA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 GLU A 203
PHE A 355
TYR A 548
VAL A 657
TYR A 663
VAL A 712
 AIL  A 901 (-3.8A)
AIL  A 901 (-3.7A)
SO4  A 801 (-4.3A)
None
AIL  A 901 (-4.3A)
AIL  A 901 (-4.9A)
 1.36A 1x70A-2oaeA:
52.5		 1x70A-2oaeA:
84.40
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		5 GLU A 337
SER A 340
VAL A 323
TYR A 335
VAL A 305
 None
 1.43A 1x70A-2pl5A:
16.7		 1x70A-2pl5A:
17.65
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.
2rsy PHOSPHOPROTEIN
ASSOCIATED WITH
GLYCOSPHINGOLIPID-EN
RICHED MICRODOMAINS
1
TYROSINE-PROTEIN
KINASE CSK

(Rattus
norvegicus) 		PF00017
(SH2)
PF15347
(PAG) 		5 GLU A 127
SER B 292
TYR A 129
ASN B 318
VAL B 317
 None
 1.45A 1x70A-2rsyA:
undetectable		 1x70A-2rsyA:
8.49
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 ARG G1567
GLU G1199
SER G1566
VAL G1195
VAL G1182
 None
 1.45A 1x70A-2uv8G:
undetectable		 1x70A-2uv8G:
16.43
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLU A 359
TYR A  18
TYR A  16
ASN A  48
VAL A 252
 None
 1.45A 1x70A-2yxxA:
undetectable		 1x70A-2yxxA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 ARG A 196
GLU A 230
PHE A 235
TYR A  21
HIS A 226
 None
None
None
None
ZN  A 501 (-3.3A)
 1.40A 1x70A-2z4gA:
undetectable		 1x70A-2z4gA:
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		5 ARG A  85
GLU A  82
PHE A 128
VAL A 263
VAL A  32
 None
 1.38A 1x70A-2zieA:
undetectable		 1x70A-2zieA:
17.94
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.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 GLU A 299
PHE A  40
VAL A 338
VAL A 173
HIS A 298
 CL  A 396 ( 4.0A)
None
None
None
None
 1.47A 1x70A-3gcfA:
undetectable		 1x70A-3gcfA:
18.54
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 SER B  29
PHE B  36
TYR B 676
TYR B 530
VAL B 669
 None
 1.48A 1x70A-3h0gB:
undetectable		 1x70A-3h0gB:
20.81
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.
3ius UNCHARACTERIZED
CONSERVED PROTEIN

(Ruegeria
pomeroyi) 		no annotation 5 SER A 160
VAL A  16
TYR A  12
VAL A 182
HIS A 181
 None
EDO  A 286 (-3.7A)
None
None
None
 1.48A 1x70A-3iusA:
undetectable		 1x70A-3iusA:
17.53
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.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		5 GLU A 192
TYR A  90
ASN A  42
VAL A  44
HIS A  45
 NFM  A 401 (-2.8A)
NFM  A 401 (-3.9A)
NFM  A 401 ( 4.0A)
None
None
 1.30A 1x70A-3ix1A:
undetectable		 1x70A-3ix1A:
17.70
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.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE

(Selenomonas
ruminantium) 		PF14566
(PTPlike_phytase) 		5 SER A  73
PHE A 250
TYR A 239
VAL A 323
ASN A 271
 None
None
GOL  A1001 (-4.0A)
None
None
 1.42A 1x70A-3mozA:
undetectable		 1x70A-3mozA:
17.40
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.
3msv NUCLEAR IMPORT
ADAPTOR, NRO1

(Schizosaccharomyces
pombe) 		PF12753
(Nro1) 		5 SER A 250
VAL A 180
TYR A 241
ASN A 203
VAL A 202
 None
 1.39A 1x70A-3msvA:
undetectable		 1x70A-3msvA:
21.20
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.
3npg UNCHARACTERIZED
DUF364 FAMILY
PROTEIN

(Pyrococcus
horikoshii) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 PHE A 234
VAL A 175
TYR A  31
ASN A  89
VAL A  85
 None
None
ACT  A 251 (-4.2A)
None
None
 1.26A 1x70A-3npgA:
undetectable		 1x70A-3npgA:
14.81
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.
3npg UNCHARACTERIZED
DUF364 FAMILY
PROTEIN

(Pyrococcus
horikoshii) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 SER A 241
PHE A 234
VAL A 175
TYR A  31
ASN A  89
 None
None
None
ACT  A 251 (-4.2A)
None
 1.35A 1x70A-3npgA:
undetectable		 1x70A-3npgA:
14.81
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.
3qtn UNCHARACTERIZED
PROTEIN C4B3.07

(Schizosaccharomyces
pombe) 		PF12753
(Nro1) 		5 SER B 250
VAL B 180
TYR B 241
ASN B 203
VAL B 202
 None
 1.47A 1x70A-3qtnB:
undetectable		 1x70A-3qtnB:
20.08
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.
3rh7 HYPOTHETICAL
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01613
(Flavin_Reduct) 		5 GLU A 283
SER A 285
VAL A 242
TYR A 228
VAL A 179
 None
 1.48A 1x70A-3rh7A:
undetectable		 1x70A-3rh7A:
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.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 PHE A 435
VAL A  76
TYR A 458
ASN A  84
VAL A  80
 D7V  A1201 ( 3.8A)
None
5EH  A1200 ( 4.4A)
None
None
 1.43A 1x70A-3rzeA:
undetectable		 1x70A-3rzeA:
20.98
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 656
VAL A 606
TYR A 598
TYR A 597
VAL A 629
 None
 1.40A 1x70A-3w9hA:
undetectable		 1x70A-3w9hA:
20.63
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ARG A 327
GLU A 504
PHE A 164
ASN A 466
VAL A 446
 None
 1.36A 1x70A-4jhzA:
undetectable		 1x70A-4jhzA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 518
VAL A 629
TYR A 635
TYR A 639
HIS A 710
 PEG  A 801 ( 4.0A)
None
None
None
None
 0.34A 1x70A-4q1vA:
35.7		 1x70A-4q1vA:
28.55
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.
4tvv TYROSINE PHOSPHATASE
II SUPERFAMILY
PROTEIN

(Legionella
pneumophila) 		PF14566
(PTPlike_phytase) 		5 TYR A 115
VAL A 188
TYR A 195
VAL A 105
HIS A 230
 None
 1.42A 1x70A-4tvvA:
undetectable		 1x70A-4tvvA:
18.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 233
GLU A 234
TYR A 683
VAL A 730
HIS A 759
 None
 0.75A 1x70A-4wjlA:
41.3		 1x70A-4wjlA:
36.56
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 GLU A 110
SER A 108
VAL A 249
ASN A 436
VAL A 141
 None
 1.41A 1x70A-4y23A:
undetectable		 1x70A-4y23A:
22.18
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ARG A 329
GLU A 505
PHE A 163
ASN A 467
VAL A 447
 None
 1.48A 1x70A-5c70A:
undetectable		 1x70A-5c70A:
22.92
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.
5ckm MANNAN-BINDING
LECTIN SERINE
PEPTIDASE 2

(Rattus
norvegicus) 		PF00431
(CUB)
PF07645
(EGF_CA) 		5 GLU A  48
SER A  50
PHE A  57
TYR A  20
ASN A 104
 CA  A 301 (-3.2A)
None
None
None
CA  A 301 (-3.0A)
 1.07A 1x70A-5ckmA:
undetectable		 1x70A-5ckmA:
16.95
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.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 ARG A 339
GLU A 153
TYR A 206
TYR A 207
VAL A 230
 None
 1.50A 1x70A-5dxfA:
undetectable		 1x70A-5dxfA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 656
VAL A 606
TYR A 598
TYR A 597
VAL A 629
 None
 1.37A 1x70A-5enoA:
undetectable		 1x70A-5enoA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gvv GLYCOSYL TRANSFERASE
FAMILY 8

(Streptococcus
pneumoniae) 		PF01501
(Glyco_transf_8) 		5 TYR A 309
VAL A 340
TYR A 346
ASN A 282
VAL A 281
 None
 1.09A 1x70A-5gvvA:
undetectable		 1x70A-5gvvA:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ARG A 682
GLU A 954
SER A 681
TYR A1041
VAL A 956
 None
 1.01A 1x70A-5m59A:
undetectable		 1x70A-5m59A:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		10 ARG A 115
GLU A 195
GLU A 196
TYR A 511
VAL A 619
TYR A 625
TYR A 629
ASN A 670
VAL A 671
HIS A 700
 GOL  A 801 ( 4.4A)
GOL  A 801 ( 4.6A)
None
GOL  A 801 (-4.4A)
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 4.1A)
GOL  A 801 ( 3.6A)
None
None
 0.39A 1x70A-5oljA:
40.0		 1x70A-5oljA:
32.26
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 147
VAL A 159
TYR A 246
TYR A 149
VAL A 155
 FAD  A 601 (-2.8A)
None
FAD  A 601 (-4.9A)
FAD  A 601 (-4.1A)
FAD  A 601 (-3.8A)
 1.29A 1x70A-5u25A:
undetectable		 1x70A-5u25A:
21.05
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 GLU A 558
SER A 581
VAL A 513
ASN A 534
VAL A 433
 None
 1.43A 1x70A-5um6A:
2.0		 1x70A-5um6A:
20.85
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 ARG A 106
GLU A 208
GLU A 209
TYR A 527
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
 ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
 0.75A 1x70A-5yp3A:
34.6		 1x70A-5yp3A:
8.39
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 GLU A 208
GLU A 209
TYR A 527
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
 ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
 0.42A 1x70A-5yp3A:
34.6		 1x70A-5yp3A:
8.39
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.
6b9m E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Danio rerio;
Homo sapiens) 		no annotation 5 ARG D 649
GLU A 155
SER D 651
TYR A 180
VAL A 143
 None
 1.23A 1x70A-6b9mD:
undetectable		 1x70A-6b9mD:
5.26
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.
6bo6 -

(-) 		no annotation 5 ARG A 340
GLU A 516
PHE A 173
ASN A 479
VAL A 459
 None
E0V  A 701 (-2.6A)
None
E0V  A 701 ( 4.7A)
None
 1.40A 1x70A-6bo6A:
undetectable		 1x70A-6bo6A:
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.
6d8w HEMAGGLUTININ

(Influenza A
virus) 		no annotation 5 GLU A  96
TYR A 232
ASN A 230
VAL A 181
HIS A 183
 None
 1.11A 1x70A-6d8wA:
undetectable		 1x70A-6d8wA:
9.44
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 8 GLU A 249
TYR A 644
VAL A 756
TYR A 762
TYR A 766
ASN A 810
VAL A 811
HIS A 840
 None
 0.52A 1x70A-6eoqA:
undetectable		 1x70A-6eoqA:
6.94
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 10 ARG A 160
GLU A 275
GLU A 276
TYR A 669
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865
 None
 0.63A 1x70A-6eotA:
undetectable		 1x70A-6eotA:
7.26