SIMILAR PATTERNS OF AMINO ACIDS FOR 2YGP_A_PCFA1213

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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ILE A 193
LEU A 296
ILE A 257
PHE A 415
PRO A 239
 None
None
GOL  A 606 (-4.7A)
None
None
 1.15A 2ygpA-1e1tA:
0.0		 2ygpA-1e1tA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 LEU A 306
ILE A 221
LEU A 223
VAL A 192
VAL A 320
 None
 1.16A 2ygpA-1g0vA:
0.0		 2ygpA-1g0vA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyu ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 LEU A 798
LEU A 760
MET A 794
PHE A 816
PHE A 721
 None
 1.15A 2ygpA-1gyuA:
4.3		 2ygpA-1gyuA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hqm DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Thermus
aquaticus) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 ILE A  58
LEU A 137
ILE A 164
PHE A 113
VAL A  53
 None
 1.08A 2ygpA-1hqmA:
undetectable		 2ygpA-1hqmA:
16.67
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.
1j5x GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Thermotoga
maritima) 		PF01380
(SIS) 		5 ILE A  58
LEU A  54
PHE A 139
PHE A  18
VAL A  23
 None
 1.14A 2ygpA-1j5xA:
0.0		 2ygpA-1j5xA:
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.
1jod OLFACTORY MARKER
PROTEIN

(Mus musculus) 		PF06554
(Olfactory_mark) 		5 MET A 239
PHE A 260
VAL A 258
VAL A 170
PHE A 165
 None
 1.11A 2ygpA-1jodA:
2.0		 2ygpA-1jodA:
22.49
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.
1nf2 PHOSPHATASE

(Thermotoga
maritima) 		PF08282
(Hydrolase_3) 		5 LEU A 266
PHE A  56
PHE A  39
VAL A  37
PHE A   7
 None
 1.10A 2ygpA-1nf2A:
undetectable		 2ygpA-1nf2A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnw HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ILE A  76
LEU A  95
ILE A  77
PHE A 197
PRO A  50
 None
 1.13A 2ygpA-1nnwA:
undetectable		 2ygpA-1nnwA:
21.63
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		5 LEU A 368
MET A 543
VAL A 390
VAL A 431
PRO A 455
 None
 1.02A 2ygpA-1q50A:
0.0		 2ygpA-1q50A:
15.33
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 ILE A  39
ILE A 215
PHE A 232
VAL A 235
PHE A 230
 None
 1.05A 2ygpA-1qi7A:
undetectable		 2ygpA-1qi7A:
21.15
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.
1tzb GLUCOSE-6-PHOSPHATE
ISOMERASE,
CONJECTURAL

(Pyrobaculum
aerophilum) 		PF10432
(bact-PGI_C) 		5 ILE A  42
LEU A  40
PHE A  21
VAL A 126
VAL A 128
 None
 1.13A 2ygpA-1tzbA:
undetectable		 2ygpA-1tzbA:
22.55
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.
1vae RHOPHILIN, RHO
GTPASE BINDING
PROTEIN 2

(Mus musculus) 		PF00595
(PDZ) 		5 ILE A  63
PHE A  42
VAL A  40
VAL A  38
PHE A  30
 None
 1.17A 2ygpA-1vaeA:
undetectable		 2ygpA-1vaeA:
21.39
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		5 ILE A  46
LEU A 225
ILE A  47
PHE A 179
PHE A 181
 None
 1.17A 2ygpA-1wraA:
undetectable		 2ygpA-1wraA:
20.90
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.
1x7h PUTATIVE KETOACYL
REDUCTASE

(Streptomyces
coelicolor) 		PF00106
(adh_short) 		5 ILE A 139
LEU A 171
VAL A  74
VAL A  77
PRO A  83
 None
 1.16A 2ygpA-1x7hA:
undetectable		 2ygpA-1x7hA:
20.93
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.
1y9l LIPOPROTEIN MXIM

(Shigella
flexneri) 		PF11441
(MxiM) 		5 LEU A 136
ILE A  48
ILE A  38
VAL A 115
PHE A  87
 None
 1.08A 2ygpA-1y9lA:
undetectable		 2ygpA-1y9lA:
17.99
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.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 ILE C 340
TRP C 129
PHE C 104
VAL C 108
PHE C 105
 None
None
HEM  C 501 ( 4.1A)
HEM  C 502 ( 4.7A)
None
 1.11A 2ygpA-1zrtC:
undetectable		 2ygpA-1zrtC:
16.98
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.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A 146
PHE A 199
PHE A 226
VAL A 224
VAL A 222
 None
 1.12A 2ygpA-2avtA:
undetectable		 2ygpA-2avtA:
16.67
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.
2b9s TOPOISOMERASE I-LIKE
PROTEIN

(Leishmania
donovani) 		PF01028
(Topoisom_I)
PF02919
(Topoisom_I_N) 		6 LEU A 311
ILE A 308
LEU A 393
VAL A 367
VAL A 363
PHE A 291
 None
 1.44A 2ygpA-2b9sA:
undetectable		 2ygpA-2b9sA:
17.13
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 ILE A 335
LEU A 332
ILE A 423
VAL A 448
PHE A 440
 None
 1.13A 2ygpA-2cdqA:
undetectable		 2ygpA-2cdqA:
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.
2cg9 ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ILE A 358
PHE A 404
PHE A 417
PRO A 328
PHE A 421
 None
 1.08A 2ygpA-2cg9A:
undetectable		 2ygpA-2cg9A:
13.50
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.
2cqi NUCLEOLYSIN TIAR

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A  16
ILE A  73
MET A  68
PHE A  55
VAL A  53
 None
 1.09A 2ygpA-2cqiA:
undetectable		 2ygpA-2cqiA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d9p POLYADENYLATE-BINDIN
G PROTEIN 3

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 301
ILE A 305
MET A 353
PHE A 340
VAL A 338
 None
 1.10A 2ygpA-2d9pA:
undetectable		 2ygpA-2d9pA:
20.44
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.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		5 ILE A 167
LEU A  46
ILE A 145
VAL A 108
PHE A 112
 None
 1.10A 2ygpA-2frxA:
undetectable		 2ygpA-2frxA:
16.20
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 ILE A  64
VAL A 386
VAL A 388
PRO A 380
PHE A 279
 None
 1.09A 2ygpA-2ijzA:
undetectable		 2ygpA-2ijzA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7q MCMV TEGUMENT
PROTEIN M48 ENCODED
UBIQUITIN- SPECIFIC
PROTEASE, M48USP

(Murid
betaherpesvirus
1) 		PF04843
(Herpes_teg_N) 		5 LEU A  31
ILE A 134
LEU A 122
VAL A 168
PRO A 157
 None
 1.13A 2ygpA-2j7qA:
undetectable		 2ygpA-2j7qA:
20.25
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.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		5 LEU A 475
ILE A 521
PHE A  69
VAL A  48
PHE A  67
 None
 1.17A 2ygpA-2jh9A:
undetectable		 2ygpA-2jh9A:
13.55
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.
2k8g POLYADENYLATE-BINDIN
G PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 106
ILE A 110
MET A 158
PHE A 145
VAL A 143
 None
 1.04A 2ygpA-2k8gA:
undetectable		 2ygpA-2k8gA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qoj INTRON-ENCODED DNA
ENDONUCLEASE I-ANII

(Aspergillus
nidulans) 		PF00961
(LAGLIDADG_1) 		5 LEU Z  36
ILE Z  47
LEU Z  51
PHE Z  85
PHE Z  19
 None
 0.99A 2ygpA-2qojZ:
undetectable		 2ygpA-2qojZ:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		12 LEU A  38
ILE A  40
LEU A  48
ILE A  57
MET A  87
TRP A  91
PHE A 138
PHE A 150
VAL A 152
VAL A 154
PRO A 168
PHE A 173
 PCF  A1179 ( 4.0A)
None
PCF  A1179 (-4.1A)
PCF  A1179 ( 4.7A)
PCF  A1179 (-3.6A)
None
None
None
PCF  A1179 (-4.4A)
PCF  A1179 ( 4.7A)
MLY  A 166 ( 3.9A)
PCF  A1179 (-3.8A)
 0.16A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		6 LEU A  38
ILE A  55
LEU A  48
ILE A  57
PRO A 168
PHE A 173
 PCF  A1179 ( 4.0A)
PCF  A1179 ( 4.5A)
PCF  A1179 (-4.1A)
PCF  A1179 ( 4.7A)
MLY  A 166 ( 3.9A)
PCF  A1179 (-3.8A)
 1.35A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygo WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		12 LEU A  38
ILE A  40
LEU A  48
ILE A  57
MET A  87
TRP A  91
PHE A 138
PHE A 150
VAL A 152
VAL A 154
PRO A 168
PHE A 173
 PCF  A1213 ( 3.9A)
None
PCF  A1213 (-4.3A)
PCF  A1213 ( 4.8A)
PCF  A1213 ( 3.8A)
None
None
None
PCF  A1213 ( 4.7A)
PCF  A1213 ( 4.7A)
MLY  A 166 ( 4.0A)
PCF  A1213 (-3.8A)
 0.13A 2ygpA-2ygoA:
29.0		 2ygpA-2ygoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygo WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		6 LEU A  38
ILE A  55
LEU A  48
ILE A  57
PRO A 168
PHE A 173
 PCF  A1213 ( 3.9A)
PCF  A1213 (-4.0A)
PCF  A1213 (-4.3A)
PCF  A1213 ( 4.8A)
MLY  A 166 ( 4.0A)
PCF  A1213 (-3.8A)
 1.36A 2ygpA-2ygoA:
29.0		 2ygpA-2ygoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		10 LEU A  38
ILE A  40
ILE A  57
MET A  87
TRP A  91
PHE A 138
PHE A 150
VAL A 152
VAL A 154
PHE A 173
 None
None
PCF  A1275 ( 4.5A)
PCF  A1275 (-3.2A)
None
None
None
PCF  A1275 (-3.6A)
PCF  A1275 (-4.9A)
PCF  A1275 ( 4.5A)
 0.39A 2ygpA-2ygqA:
26.2		 2ygpA-2ygqA:
57.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		9 LEU A  38
ILE A  40
LEU A  48
ILE A  57
MET A  87
TRP A  91
VAL A 152
VAL A 154
PHE A 173
 None
None
PCF  A1275 (-4.6A)
PCF  A1275 ( 4.5A)
PCF  A1275 (-3.2A)
None
PCF  A1275 (-3.6A)
PCF  A1275 (-4.9A)
PCF  A1275 ( 4.5A)
 0.66A 2ygpA-2ygqA:
26.2		 2ygpA-2ygqA:
57.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		10 LEU A  38
ILE A  57
MET A  87
TRP A  91
PHE A 138
PHE A 150
VAL A 152
VAL A 154
PRO A 168
PHE A 173
 None
PCF  A1275 ( 4.5A)
PCF  A1275 (-3.2A)
None
None
None
PCF  A1275 (-3.6A)
PCF  A1275 (-4.9A)
None
PCF  A1275 ( 4.5A)
 0.63A 2ygpA-2ygqA:
26.2		 2ygpA-2ygqA:
57.72
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.
3b7m CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 ILE A 117
LEU A 119
ILE A  98
VAL A 215
PHE A 211
 None
 1.16A 2ygpA-3b7mA:
undetectable		 2ygpA-3b7mA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 LEU A  40
ILE A 281
LEU A 284
ILE A  31
VAL A 240
 None
 1.08A 2ygpA-3e9zA:
undetectable		 2ygpA-3e9zA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		5 LEU A  58
ILE A  63
MET A  20
PHE A  47
PHE A  34
 None
None
1PE  A 131 ( 3.8A)
None
1PE  A 131 (-4.5A)
 1.04A 2ygpA-3hzpA:
undetectable		 2ygpA-3hzpA:
22.41
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 ILE A 561
LEU A 489
ILE A 553
PHE A 471
VAL A 513
 None
 1.15A 2ygpA-3lvvA:
undetectable		 2ygpA-3lvvA:
14.57
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.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		5 LEU X 176
ILE X 230
VAL X 203
VAL X 163
PRO X 198
 None
 0.96A 2ygpA-3mbrX:
undetectable		 2ygpA-3mbrX:
22.73
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.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		5 LEU A 379
ILE A 377
LEU A 371
MET A 256
PRO A 395
 None
 1.06A 2ygpA-3nc3A:
undetectable		 2ygpA-3nc3A:
16.33
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.
3nok GLUTAMINYL CYCLASE

(Myxococcus
xanthus) 		PF05096
(Glu_cyclase_2) 		5 LEU A 174
ILE A 228
VAL A 201
VAL A 161
PRO A 196
 None
 1.11A 2ygpA-3nokA:
undetectable		 2ygpA-3nokA:
19.41
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.
3op1 MACROLIDE-EFFLUX
PROTEIN

(Streptococcus
pneumoniae) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 LEU A 141
ILE A 115
ILE A 123
PHE A 102
PHE A  56
 None
None
None
None
GOL  A 318 ( 4.9A)
 1.13A 2ygpA-3op1A:
undetectable		 2ygpA-3op1A:
20.83
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.
3p3k TRANSLATIONALLY-CONT
ROLLED TUMOR PROTEIN
HOMOLOG

(Plasmodium
falciparum) 		PF00838
(TCTP) 		5 ILE A 149
PHE A 124
PHE A  28
VAL A  40
PRO A 161
 None
 1.05A 2ygpA-3p3kA:
undetectable		 2ygpA-3p3kA:
19.50
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		5 LEU A 215
ILE A 208
LEU A 344
ILE A 213
VAL A 247
 None
1ZZ  A   1 (-4.5A)
1ZZ  A   1 (-4.1A)
1ZZ  A   1 ( 4.8A)
None
 1.07A 2ygpA-3pbkA:
undetectable		 2ygpA-3pbkA:
15.93
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.
3qlv GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 5

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		6 LEU A 144
ILE A 197
LEU A 208
ILE A 196
VAL A 192
PRO A 140
 None
 1.38A 2ygpA-3qlvA:
undetectable		 2ygpA-3qlvA:
17.72
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.
3uen DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF12738
(PTCB-BRCT) 		5 ILE A 582
ILE A 575
VAL A 596
VAL A 611
PHE A 563
 GOL  A 802 (-4.8A)
None
None
None
None
 1.14A 2ygpA-3uenA:
undetectable		 2ygpA-3uenA:
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.
3voo FATTY ACID
ALPHA-HYDROXYLASE

(Sphingomonas
paucimobilis) 		PF00067
(p450) 		5 ILE A 200
ILE A 197
TRP A 192
VAL A 239
VAL A 237
 None
None
None
HEM  A 501 ( 3.9A)
None
 1.13A 2ygpA-3vooA:
undetectable		 2ygpA-3vooA:
17.96
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.
3wea NIEMANN-PICK TYPE C2
PROTEIN

(Camponotus
japonicus) 		PF02221
(E1_DerP2_DerF2) 		5 LEU A  68
LEU A 108
PHE A 127
VAL A  38
VAL A  95
 None
 1.15A 2ygpA-3weaA:
undetectable		 2ygpA-3weaA:
21.76
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 LEU A 779
ILE A 848
LEU A 851
ILE A 846
MET A 783
 None
 1.12A 2ygpA-3welA:
undetectable		 2ygpA-3welA:
10.51
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.
3wwz D-LACTATE
DEHYDROGENASE
(FERMENTATIVE)

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 200
LEU A 142
ILE A 230
MET A 163
VAL A 105
 None
 1.17A 2ygpA-3wwzA:
undetectable		 2ygpA-3wwzA:
18.51
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.
3zyp CIP1

(Trichoderma
reesei) 		no annotation 5 ILE A  88
ILE A  87
VAL A  44
VAL A 203
PHE A  57
 None
 1.15A 2ygpA-3zypA:
undetectable		 2ygpA-3zypA:
19.21
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.
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 LEU A 257
ILE A 215
PHE A 197
VAL A 195
VAL A 193
 None
 1.17A 2ygpA-4bfrA:
undetectable		 2ygpA-4bfrA:
11.35
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.
4c9b PRE-MRNA-SPLICING
FACTOR CWC22 HOMOLOG

(Homo sapiens) 		PF02854
(MIF4G) 		5 LEU B 304
ILE B 315
LEU B 282
PHE B 241
VAL B 260
 None
 1.17A 2ygpA-4c9bB:
undetectable		 2ygpA-4c9bB:
20.66
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.
4cmw DITERPENE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A  60
PHE A 120
VAL A 118
VAL A 116
PHE A 158
 None
 1.08A 2ygpA-4cmwA:
undetectable		 2ygpA-4cmwA:
19.93
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.
4ejs ELONGATOR COMPLEX
PROTEIN 6

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C  79
ILE C 145
LEU C  18
ILE C 147
PRO C  42
 None
 1.16A 2ygpA-4ejsC:
undetectable		 2ygpA-4ejsC:
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.
4f02 POLYADENYLATE-BINDIN
G PROTEIN 1
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 1

(Homo sapiens;
Homo sapiens) 		PF00076
(RRM_1)
no annotation 		5 ILE C 182
ILE C 180
MET A 158
PHE A 145
VAL A 130
 None
 1.09A 2ygpA-4f02C:
undetectable		 2ygpA-4f02C:
7.65
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.
4f02 POLYADENYLATE-BINDIN
G PROTEIN 1
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 1

(Homo sapiens;
Homo sapiens) 		PF00076
(RRM_1)
no annotation 		5 ILE C 182
ILE C 180
MET A 158
PHE A 145
VAL A 143
 None
 1.16A 2ygpA-4f02C:
undetectable		 2ygpA-4f02C:
7.65
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.
4gf8 PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio cholerae) 		PF00496
(SBP_bac_5) 		5 LEU A 376
LEU A 329
ILE A 381
VAL A 250
VAL A 404
 None
 1.02A 2ygpA-4gf8A:
undetectable		 2ygpA-4gf8A:
15.72
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.
4h09 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Eubacterium
ventriosum) 		PF13306
(LRR_5) 		5 ILE A 276
LEU A 296
PHE A 337
VAL A 308
VAL A 305
 None
None
None
None
EDO  A 510 ( 4.5A)
 1.14A 2ygpA-4h09A:
undetectable		 2ygpA-4h09A:
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ILE A  56
LEU A  58
ILE A  39
VAL A 118
VAL A 115
 None
None
None
None
CJC  A 401 (-4.6A)
 1.01A 2ygpA-4hymA:
undetectable		 2ygpA-4hymA:
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.
4ixl XYLANASE

(Bacillus sp.
(in: Bacteria)) 		PF00457
(Glyco_hydro_11) 		5 ILE A 200
LEU A  62
PHE A 162
PHE A  94
VAL A  83
 None
 1.00A 2ygpA-4ixlA:
undetectable		 2ygpA-4ixlA:
20.46
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.
4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 ILE C 444
PHE C 328
VAL C 326
VAL C 324
PHE C 297
 None
 1.13A 2ygpA-4j16C:
undetectable		 2ygpA-4j16C:
23.94
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.
4ki5 COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 ILE M2190
ILE M2185
VAL M2243
VAL M2240
PRO M2177
 ILE  M2190 ( 0.7A)
ILE  M2185 ( 0.7A)
VAL  M2243 ( 0.6A)
VAL  M2240 ( 0.6A)
PRO  M2177 ( 1.1A)
 0.94A 2ygpA-4ki5M:
undetectable		 2ygpA-4ki5M:
18.36
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.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ILE S  36
LEU S  37
VAL S 123
VAL S 161
PRO S 165
 None
None
None
None
SF4  S 303 (-4.0A)
 1.11A 2ygpA-4ko2S:
undetectable		 2ygpA-4ko2S:
21.00
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ILE A 121
ILE A 123
MET A 190
VAL A 157
VAL A 155
 None
 1.08A 2ygpA-4kxbA:
undetectable		 2ygpA-4kxbA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lnv THIOESTER-CONTAINING
PROTEIN I

(Anopheles
gambiae) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 LEU A 178
ILE A 666
LEU A 672
VAL A 210
VAL A 202
 None
 1.16A 2ygpA-4lnvA:
3.7		 2ygpA-4lnvA:
9.64
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF02934
(GatB_N) 		5 ILE B 185
LEU B 153
ILE B 215
VAL B 319
PRO B 324
 None
 0.86A 2ygpA-4n0iB:
undetectable		 2ygpA-4n0iB:
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		6 ILE A 531
LEU A 534
MET A 544
PHE A 604
PHE A 608
VAL A 620
 None
 1.21A 2ygpA-4nh0A:
undetectable		 2ygpA-4nh0A:
8.96
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.
4pcv BDCA (YJGI)

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 LEU A  76
ILE A 127
LEU A 160
VAL A  66
VAL A  69
 None
 1.13A 2ygpA-4pcvA:
undetectable		 2ygpA-4pcvA:
23.29
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.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 LEU A 196
ILE A 236
LEU A 300
MET A 238
PHE A 335
 None
 0.91A 2ygpA-4pysA:
undetectable		 2ygpA-4pysA:
15.81
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.
4q0m L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 LEU A 324
ILE A 302
MET A 290
VAL A 228
VAL A 202
 None
None
None
None
GOL  A 402 (-4.7A)
 1.06A 2ygpA-4q0mA:
undetectable		 2ygpA-4q0mA:
21.68
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.
4q8g PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF13423
(UCH_1) 		5 LEU A 771
ILE A 695
LEU A 756
ILE A 699
PRO A 732
 None
 1.14A 2ygpA-4q8gA:
undetectable		 2ygpA-4q8gA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 LEU A 323
ILE A 390
ILE A 389
VAL A 373
PHE A 393
 None
 1.16A 2ygpA-4qaxA:
undetectable		 2ygpA-4qaxA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 6 LEU B 324
ILE B 302
MET B 290
VAL B 228
VAL B 202
PRO B 256
 None
 1.33A 2ygpA-4ra6B:
undetectable		 2ygpA-4ra6B:
19.65
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.
4uc7 NUCLEOPROTEIN

(Human
orthopneumovirus) 		PF03246
(Pneumo_ncap) 		5 LEU A 119
ILE A  44
PHE A 213
VAL A 212
PHE A 219
 None
 1.03A 2ygpA-4uc7A:
undetectable		 2ygpA-4uc7A:
21.37
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		5 ILE A 901
LEU A 992
VAL A 862
VAL A 858
PHE A 865
 None
 1.17A 2ygpA-4uvkA:
undetectable		 2ygpA-4uvkA:
11.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xzu COAGULATION FACTOR
VIII

(Homo sapiens) 		no annotation 5 ILE M2190
ILE M2185
VAL M2243
VAL M2240
PRO M2177
 None
 1.00A 2ygpA-4xzuM:
undetectable		 2ygpA-4xzuM:
18.38
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.
4yis MEGANUCLEASE I-CPAMI

(Cryphonectria
parasitica) 		PF00961
(LAGLIDADG_1) 		5 LEU A  45
ILE A  56
LEU A  60
PHE A  90
PHE A  21
 None
 1.14A 2ygpA-4yisA:
undetectable		 2ygpA-4yisA:
22.07
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.
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 A1391
LEU A1367
ILE A1393
VAL A1437
PHE A1430
 None
 1.10A 2ygpA-4yknA:
undetectable		 2ygpA-4yknA:
9.32
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.
4zbl PHOTOSESITIZER
MKILLERORANGE

(Hydrozoa) 		PF01353
(GFP) 		5 ILE A  64
ILE A  18
PHE A 165
PHE A  98
VAL A  22
 4M9  A  65 ( 3.9A)
None
None
None
None
 1.16A 2ygpA-4zblA:
undetectable		 2ygpA-4zblA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 LEU A 104
ILE A 174
LEU A 395
VAL A 120
PHE A 115
 None
 1.09A 2ygpA-4zpjA:
undetectable		 2ygpA-4zpjA:
17.77
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.
5b5u L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 6 LEU B 324
ILE B 302
MET B 290
VAL B 228
VAL B 202
PRO B 256
 None
 1.29A 2ygpA-5b5uB:
undetectable		 2ygpA-5b5uB:
19.89
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.
5dt5 BETA-GLUCOSIDASE

(Exiguobacterium
antarcticum) 		PF00232
(Glyco_hydro_1) 		5 ILE A  82
ILE A  77
PHE A 208
VAL A 154
PHE A 147
 None
 1.16A 2ygpA-5dt5A:
undetectable		 2ygpA-5dt5A:
16.81
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.
5ffp IMMUNITY 23 FAMILY
PROTEIN

(Burkholderia
dolosa) 		PF15593
(Imm42) 		5 LEU A  29
MET A  33
VAL A 147
VAL A 151
PHE A 144
 None
 1.00A 2ygpA-5ffpA:
undetectable		 2ygpA-5ffpA:
20.90
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 LEU A 265
ILE A  40
LEU A  64
ILE A 264
VAL A 205
 None
FAD  A 602 (-4.8A)
None
None
None
 1.11A 2ygpA-5glgA:
undetectable		 2ygpA-5glgA:
16.74
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ILE A 776
LEU A 770
ILE A 822
VAL A 670
PHE A 695
 None
 1.08A 2ygpA-5hjrA:
undetectable		 2ygpA-5hjrA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hxa ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 LEU A 460
ILE A 135
LEU A 125
ILE A 134
VAL A  36
 None
 1.13A 2ygpA-5hxaA:
undetectable		 2ygpA-5hxaA:
16.15
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 5 LEU A  88
ILE A  73
LEU A  70
PHE A 151
VAL A 147
 None
 1.12A 2ygpA-5iwzA:
undetectable		 2ygpA-5iwzA:
18.66
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.
5k8d COAGULATION FACTOR
VIII,IG GAMMA-1
CHAIN C REGION

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		5 ILE B2190
ILE B2185
VAL B2243
VAL B2240
PRO B2177
 None
 0.93A 2ygpA-5k8dB:
2.7		 2ygpA-5k8dB:
12.53
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 LEU A1359
ILE A1351
LEU A1298
VAL A1366
PHE A1324
 None
 1.12A 2ygpA-5me3A:
undetectable		 2ygpA-5me3A:
10.32
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.
5n5p PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN
PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens;
Ruminococcus
flavefaciens) 		no annotation
no annotation 		5 ILE A 865
LEU A 867
ILE A 861
VAL B 662
VAL B 666
 None
 0.96A 2ygpA-5n5pA:
undetectable		 2ygpA-5n5pA:
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.
5npx POLYPROTEIN

(Broad bean
stain virus) 		no annotation 5 LEU L 201
LEU L 216
PHE L 299
VAL L 263
PHE L 266
 None
 1.14A 2ygpA-5npxL:
undetectable		 2ygpA-5npxL:
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.
5o2v NUCLEOLYSIN TIA-1
ISOFORM P40

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A  14
ILE A  71
MET A  66
PHE A  53
VAL A  51
 None
 1.12A 2ygpA-5o2vA:
undetectable		 2ygpA-5o2vA:
17.99
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.
5u6k DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Mus musculus) 		PF12738
(PTCB-BRCT) 		5 ILE A 585
ILE A 578
VAL A 599
VAL A 614
PHE A 566
 None
 1.05A 2ygpA-5u6kA:
undetectable		 2ygpA-5u6kA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wtf VP1

(Hepatovirus A) 		PF12944
(HAV_VP) 		5 ILE A 200
LEU A 143
PHE A 109
PHE A  98
PHE A 245
 None
 1.13A 2ygpA-5wtfA:
undetectable		 2ygpA-5wtfA:
18.06
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.
5xyn PLATINUM SENSITIVITY
PROTEIN 3
SUPPRESSOR OF HU
SENSITIVITY INVOLVED
IN RECOMBINATION
PROTEIN 1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 LEU C  42
ILE A  16
VAL C  24
VAL C  26
PRO A  11
 None
 1.05A 2ygpA-5xynC:
undetectable		 2ygpA-5xynC:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio harveyi) 		no annotation 5 LEU A 377
LEU A 330
ILE A 382
VAL A 251
VAL A 405
 None
 1.07A 2ygpA-5yqwA:
undetectable		 2ygpA-5yqwA:
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 LEU A 474
PHE A 326
PHE A 370
PRO A 356
PHE A 333
 None
 1.10A 2ygpA-6f72A:
undetectable		 2ygpA-6f72A:
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 ILE A 335
LEU A 352
VAL A 378
VAL A 367
PRO A 370
 None
 1.04A 2ygpA-6gl3A:
undetectable		 2ygpA-6gl3A:
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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans) 		PF04616
(Glyco_hydro_43) 		5 ILE A 300
ILE A  30
PHE A   7
PRO A 302
PHE A 204
 None
 1.37A 2ygpA-1wl7A:
0.0		 2ygpA-1wl7A:
20.06
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ILE A 240
ILE A 221
ILE A 207
PHE A 154
VAL A 126
 None
 1.27A 2ygpA-1ycgA:
0.0		 2ygpA-1ycgA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		5 ILE L  68
ILE L 172
PHE L  25
PHE L 127
VAL L 150
 None
 1.16A 2ygpA-2bfuL:
0.0		 2ygpA-2bfuL:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qn0 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 ILE A 226
ILE A 194
PHE A  86
ILE A  97
VAL A 136
 None
 1.41A 2ygpA-2qn0A:
0.0		 2ygpA-2qn0A:
17.54
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ILE A 262
ILE A 197
PHE A 212
ILE A 111
PHE A 416
 None
None
None
HEM  A 450 (-4.3A)
None
 1.24A 2ygpA-2wm4A:
0.0		 2ygpA-2wm4A:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		7 ILE A  49
ILE A  55
PHE A  66
PRO A  78
ILE A  80
PHE A  89
VAL A 156
 PCF  A1179 (-4.8A)
PCF  A1179 ( 4.5A)
PCF  A1179 (-3.8A)
PCF  A1179 (-4.3A)
None
PCF  A1179 ( 3.8A)
None
 0.26A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		6 ILE A  49
ILE A  55
PRO A  78
ILE A  80
PHE A  89
VAL A 127
 PCF  A1179 (-4.8A)
PCF  A1179 ( 4.5A)
PCF  A1179 (-4.3A)
None
PCF  A1179 ( 3.8A)
None
 1.39A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		5 ILE A  55
PHE A  66
ARG A  76
ILE A  80
PHE A  89
 PCF  A1179 ( 4.5A)
PCF  A1179 (-3.8A)
MLY  A  72 (-4.5A)
None
PCF  A1179 ( 3.8A)
 1.39A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygo WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		8 ILE A  49
ILE A  55
PHE A  66
ARG A  76
PRO A  78
ILE A  80
PHE A  89
VAL A 156
 PCF  A1213 (-4.6A)
PCF  A1213 (-4.0A)
PCF  A1213 ( 3.6A)
PCF  A1213 (-3.6A)
PCF  A1213 (-4.0A)
None
PCF  A1213 (-4.1A)
None
 0.30A 2ygpA-2ygoA:
29.0		 2ygpA-2ygoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygo WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		6 ILE A  49
ILE A  55
PRO A  78
ILE A  80
PHE A  89
VAL A 127
 PCF  A1213 (-4.6A)
PCF  A1213 (-4.0A)
PCF  A1213 (-4.0A)
None
PCF  A1213 (-4.1A)
None
 1.47A 2ygpA-2ygoA:
29.0		 2ygpA-2ygoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		5 ILE A  49
ILE A  55
PHE A  66
PHE A  89
VAL A 156
 PCF  A1275 (-4.7A)
PCF  A1275 ( 4.4A)
None
PCF  A1275 (-4.6A)
None
 0.67A 2ygpA-2ygqA:
26.2		 2ygpA-2ygqA:
57.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		6 ILE A  55
PHE A  66
PRO A  78
ILE A  80
PHE A  89
VAL A 156
 PCF  A1275 ( 4.4A)
None
PCF  A1275 (-4.1A)
PCF  A1275 (-4.7A)
PCF  A1275 (-4.6A)
None
 0.60A 2ygpA-2ygqA:
26.2		 2ygpA-2ygqA:
57.72
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ILE A 209
ILE A 211
PHE A  34
ILE A 107
VAL A 252
 None
 1.41A 2ygpA-2yxxA:
0.0		 2ygpA-2yxxA:
19.73
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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		5 ILE A  81
ILE A 148
PHE A  88
PRO A  83
ILE A 199
 None
 1.42A 2ygpA-3at7A:
undetectable		 2ygpA-3at7A:
23.96
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 ILE A 323
ILE A 338
ARG A 310
ILE A  90
VAL A 349
 None
 1.49A 2ygpA-3td9A:
undetectable		 2ygpA-3td9A:
18.26
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ILE A 133
ILE A 102
PHE A 176
ILE A 136
VAL A 115
 None
 1.11A 2ygpA-3tm5A:
undetectable		 2ygpA-3tm5A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 ILE A 417
ILE A 411
PHE A 422
ILE A 348
VAL A 402
 None
 1.37A 2ygpA-3u7uA:
undetectable		 2ygpA-3u7uA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 ILE A 256
PRO A 272
ILE A  87
PHE A  72
VAL A  28
 None
 1.16A 2ygpA-4dwqA:
undetectable		 2ygpA-4dwqA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		5 ILE A 194
ILE A 223
PHE A 215
ILE A 105
PHE A 257
 None
 1.46A 2ygpA-4gk8A:
undetectable		 2ygpA-4gk8A:
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.
4h62 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF10156
(Med17)
no annotation 		5 ILE Q 647
ILE Q 645
PHE Q 667
ILE Q 619
VAL V 116
 None
None
None
None
MES  Q 701 (-4.9A)
 1.28A 2ygpA-4h62Q:
undetectable		 2ygpA-4h62Q:
18.85
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.
4jmn PROBABLE
L,D-TRANSPEPTIDASE
LDTA

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ILE A 131
ILE A 161
ILE A 227
PHE A 164
VAL A  89
 None
 1.50A 2ygpA-4jmnA:
undetectable		 2ygpA-4jmnA:
20.18
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 ILE D 687
PRO D 766
ILE D 768
PHE D 668
VAL D 585
 None
MLY  D 764 ( 4.5A)
MLY  D 769 ( 3.8A)
None
None
 1.23A 2ygpA-4ngeD:
undetectable		 2ygpA-4ngeD:
10.97
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.
5c93 HISTIDINE KINASE

(Lactobacillus
plantarum) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ILE A 511
ILE A 538
PHE A 504
ILE A 486
PHE A 490
 None
 1.47A 2ygpA-5c93A:
undetectable		 2ygpA-5c93A:
20.91
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.
5exr DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 ILE D 367
ILE D 409
PHE D 422
ILE D 598
VAL D 389
 None
 1.28A 2ygpA-5exrD:
undetectable		 2ygpA-5exrD:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 557
ILE A 646
ILE A 525
PHE A 638
VAL A 796
 None
 1.44A 2ygpA-5fjjA:
undetectable		 2ygpA-5fjjA:
13.28
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.
5jnb POLY(A) RNA
POLYMERASE GLD-2
RNP (RRM RNA BINDING
DOMAIN) CONTAINING

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		PF03828
(PAP_assoc)
no annotation 		5 ILE A 677
PHE E 207
ARG E 206
PHE A 877
VAL A 723
 None
 1.28A 2ygpA-5jnbA:
undetectable		 2ygpA-5jnbA:
20.91
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 ILE A 235
ILE A 216
PRO A 237
ILE A  80
VAL A 112
 None
None
None
HEM  A 501 (-4.4A)
None
 1.29A 2ygpA-5omsA:
undetectable		 2ygpA-5omsA:
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.
5t9x GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ILE A 121
ILE A 300
PHE A  75
ILE A 169
VAL A  56
 None
 1.28A 2ygpA-5t9xA:
undetectable		 2ygpA-5t9xA:
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.
5tgn UNCHARACTERIZED
PROTEIN

(Sphaerobacter
thermophilus) 		PF12680
(SnoaL_2) 		5 ILE A  87
ILE A 103
PHE A  49
ILE A  61
PHE A  91
 GOL  A 202 ( 4.5A)
GOL  A 202 ( 4.2A)
None
None
None
 1.28A 2ygpA-5tgnA:
undetectable		 2ygpA-5tgnA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vvw UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 ILE A 297
ARG A 275
PRO A 277
ILE A 257
VAL A 232
 None
 1.42A 2ygpA-5vvwA:
undetectable		 2ygpA-5vvwA:
19.62