SIMILAR PATTERNS OF AMINO ACIDS FOR 2YA7_C_ZMRC1776

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.
1l0w ASPARTYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ASP A 230
ASP A 530
LEU A 144
ARG A 131
ARG A 127
 None
 1.48A 2ya7C-1l0wA:
undetectable		 2ya7C-1l0wA:
20.27
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  35
ASP A  51
ARG A 245
ARG A 314
TYR A 342
 DAN  A 700 (-3.0A)
None
DAN  A 700 (-2.8A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.5A)
 0.81A 2ya7C-1ms8A:
36.1		 2ya7C-1ms8A:
24.70
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  35
ASP A  51
ASP A  96
ARG A 245
ARG A 314
 DAN  A 700 (-3.0A)
None
DAN  A 700 (-3.3A)
DAN  A 700 (-2.8A)
DAN  A 700 (-3.0A)
 0.86A 2ya7C-1ms8A:
36.1		 2ya7C-1ms8A:
24.70
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 ARG A 486
ILE A 534
ILE A 530
ASP A 529
LEU A 433
 None
 1.34A 2ya7C-1mt5A:
undetectable		 2ya7C-1mt5A:
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		7 ARG A  36
ILE A  37
ASP A  52
ASP A  97
ARG A 246
ARG A 315
TYR A 343
 None
 0.47A 2ya7C-1mz5A:
35.7		 2ya7C-1mz5A:
23.11
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  36
ILE A  37
ASP A  52
ILE A  64
ARG A 315
 None
 1.41A 2ya7C-1mz5A:
35.7		 2ya7C-1mz5A:
23.11
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.
1t6k PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF

(Pseudomonas
fluorescens) 		PF02567
(PhzC-PhzF) 		5 ASP A 130
ILE A 146
PHE A 187
TYR A 149
LEU A 218
 None
 1.48A 2ya7C-1t6kA:
undetectable		 2ya7C-1t6kA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		7 ARG A  68
ILE A  69
ASP A  85
ASP A 131
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.35A 2ya7C-1w8oA:
45.7		 2ya7C-1w8oA:
24.84
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 ILE A  66
ASP A  46
ASP A  67
LEU A 287
ARG A 280
 None
 1.25A 2ya7C-1xa0A:
undetectable		 2ya7C-1xa0A:
21.51
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 ILE A 193
ASP A 195
TYR A 225
LEU A 155
TYR A 251
 None
 1.31A 2ya7C-2anpA:
undetectable		 2ya7C-2anpA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 ILE A 255
ASP A 260
ASP A 117
ASP A 118
LEU A 155
 None
None
ZN  A 501 ( 2.4A)
ZN  A 502 ( 4.9A)
None
 1.31A 2ya7C-2anpA:
undetectable		 2ya7C-2anpA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 266
ILE A 267
ASP A 283
ILE A 297
ARG A 615
 SIA  A1692 (-2.7A)
SIA  A1692 (-4.5A)
None
None
SIA  A1692 (-3.1A)
 1.36A 2ya7C-2bf6A:
52.3		 2ya7C-2bf6A:
43.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		9 ARG A 266
ILE A 267
ASP A 283
ILE A 327
ASP A 328
TYR A 485
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-4.5A)
None
SIA  A1692 (-4.5A)
SIA  A1692 (-2.9A)
SIA  A1692 (-4.7A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.34A 2ya7C-2bf6A:
52.3		 2ya7C-2bf6A:
43.11
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ILE A 139
ILE A 170
ASP A   4
PHE A 156
LEU A   8
 None
 1.03A 2ya7C-2bjuA:
undetectable		 2ya7C-2bjuA:
21.26
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.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		6 ARG A  21
ILE A  22
TYR A 179
ARG A 237
ARG A 304
TYR A 334
 None
 0.41A 2ya7C-2f28A:
40.7		 2ya7C-2f28A:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		11 ARG A 347
ILE A 348
ASP A 364
ILE A 416
ASP A 417
ASP A 434
TYR A 590
LEU A 598
ARG A 663
ARG A 721
TYR A 752
 None
 0.22A 2ya7C-2w20A:
68.0		 2ya7C-2w20A:
94.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 366
ASP A 417
PHE A 443
TYR A 590
LEU A 598
 None
 1.24A 2ya7C-2w20A:
68.0		 2ya7C-2w20A:
94.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 366
ILE A 348
ASP A 417
TYR A 590
LEU A 598
 None
 1.30A 2ya7C-2w20A:
68.0		 2ya7C-2w20A:
94.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		7 ASP A 364
ILE A 416
ASP A 417
ASP A 434
PHE A 443
TYR A 590
LEU A 598
 None
 0.72A 2ya7C-2w20A:
68.0		 2ya7C-2w20A:
94.72
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		5 ASP A  79
TYR A 146
ARG A 198
ARG A 260
TYR A 297
 None
 0.70A 2ya7C-2w38A:
32.7		 2ya7C-2w38A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ARG A  59
ILE A  60
ARG A 265
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
None
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.29A 2ya7C-2xziA:
37.2		 2ya7C-2xziA:
26.09
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.
3ld1 REPLICASE
POLYPROTEIN 1A

(Avian
coronavirus) 		no annotation 5 ARG A 152
ILE A 191
ILE A 202
PHE A 209
LEU A 235
 None
 1.16A 2ya7C-3ld1A:
undetectable		 2ya7C-3ld1A:
22.38
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 ILE A 125
ILE A 116
ASP A 114
PHE A 101
LEU A 106
 None
None
K  A 491 (-3.2A)
None
None
 1.17A 2ya7C-3rreA:
undetectable		 2ya7C-3rreA:
23.37
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		7 ARG A  37
ILE A  38
ASP A  54
ASP A 100
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
None
None
GOL  A 403 (-3.4A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.41A 2ya7C-3silA:
36.7		 2ya7C-3silA:
25.93
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		7 ILE A  38
ASP A  54
ASP A 100
LEU A 205
ARG A 246
ARG A 309
TYR A 342
 None
None
GOL  A 403 (-3.4A)
None
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 1.39A 2ya7C-3silA:
36.7		 2ya7C-3silA:
25.93
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		7 ARG A 204
ILE A 205
ASP A 221
ASP A 272
ARG A 415
ARG A 479
TYR A 510
 None
 0.46A 2ya7C-4bbwA:
44.2		 2ya7C-4bbwA:
26.94
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		7 ARG A 200
ILE A 201
ASP A 217
ASP A 268
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
None
None
None
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.31A 2ya7C-4fj6A:
44.6		 2ya7C-4fj6A:
24.00
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		6 ARG A 174
ILE A 175
TYR A 317
ARG A 416
ARG A 498
TYR A 526
 None
 0.94A 2ya7C-4fzhA:
5.3		 2ya7C-4fzhA:
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 5 ARG D 163
ILE D 164
LEU D 459
ARG D 405
TYR D 523
 SO4  D 608 ( 4.1A)
None
None
SO4  D 608 (-2.6A)
None
 1.26A 2ya7C-4jf7D:
7.1		 2ya7C-4jf7D:
20.95
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 6 ARG D 163
ILE D 164
TYR D 306
ARG D 405
ARG D 495
TYR D 523
 SO4  D 608 ( 4.1A)
None
None
SO4  D 608 (-2.6A)
SO4  D 608 (-3.3A)
None
 0.69A 2ya7C-4jf7D:
7.1		 2ya7C-4jf7D:
20.95
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  66
ASP A  46
ASP A  67
LEU A 286
ARG A 279
 None
 1.37A 2ya7C-4jxkA:
undetectable		 2ya7C-4jxkA:
23.98
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.
4lmw GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		5 ILE A  11
ASP A  10
LEU A 126
ARG A 153
TYR A  46
 None
None
None
FMT  A 305 ( 4.0A)
FMT  A 301 ( 4.9A)
 1.11A 2ya7C-4lmwA:
undetectable		 2ya7C-4lmwA:
20.12
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		7 ARG A 220
ILE A 221
ASP A 237
ASP A 288
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
None
None
EDO  A 607 (-3.1A)
None
None
None
 0.32A 2ya7C-4q6kA:
44.4		 2ya7C-4q6kA:
25.39
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 293
ILE A 294
ASP A 310
ILE A 323
ARG A 673
 CNP  A 760 (-3.0A)
CNP  A 760 (-4.5A)
None
None
CNP  A 760 (-3.0A)
 1.25A 2ya7C-4sliA:
41.1		 2ya7C-4sliA:
25.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		10 ARG A 293
ILE A 294
ASP A 310
ILE A 374
ASP A 375
ASP A 392
TYR A 561
ARG A 611
ARG A 673
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 (-4.5A)
None
CNP  A 760 ( 4.4A)
CNP  A 760 (-2.8A)
CNP  A 760 (-4.4A)
None
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.41A 2ya7C-4sliA:
41.1		 2ya7C-4sliA:
25.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ILE A 258
ASP A 274
ILE A 287
ARG A 637
 3XR  A 802 (-3.0A)
None
None
None
3XR  A 802 (-3.0A)
 1.43A 2ya7C-4x6kA:
41.0		 2ya7C-4x6kA:
31.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		10 ARG A 257
ILE A 258
ASP A 274
ILE A 338
ASP A 339
ASP A 356
TYR A 525
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
None
3XR  A 802 (-4.2A)
3XR  A 802 (-2.8A)
3XR  A 802 (-4.6A)
None
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.35A 2ya7C-4x6kA:
41.0		 2ya7C-4x6kA:
31.27
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7C-4xhbA:
40.6		 2ya7C-4xhbA:
24.72
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		10 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.32A 2ya7C-4xhbA:
40.6		 2ya7C-4xhbA:
24.72
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 290
ASP A 307
ILE A 371
ASP A 388
PHE A 316
 G39  A 801 (-2.6A)
None
None
G39  A 801 ( 4.8A)
GOL  A 802 (-4.9A)
 0.83A 2ya7C-4yw5A:
39.6		 2ya7C-4yw5A:
24.11
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ARG A 290
ILE A 291
ASP A 307
ILE A 320
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
None
None
None
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 1.30A 2ya7C-4yw5A:
39.6		 2ya7C-4yw5A:
24.11
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		10 ARG A 290
ILE A 291
ASP A 307
ILE A 371
ASP A 372
ASP A 388
TYR A 553
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
None
None
None
G39  A 801 (-2.6A)
G39  A 801 ( 4.8A)
None
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.36A 2ya7C-4yw5A:
39.6		 2ya7C-4yw5A:
24.11
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		6 ARG A 180
ILE A 181
TYR A 323
ARG A 422
ARG A 512
TYR A 540
 SLT  A 606 (-2.6A)
None
SLT  A 606 (-4.6A)
SLT  A 606 (-3.0A)
SLT  A 606 (-2.8A)
SLT  A 606 (-4.7A)
 0.59A 2ya7C-5b2dA:
7.7		 2ya7C-5b2dA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6byw GOXA

(Pseudoalteromonas
luteoviolacea) 		no annotation 5 ARG B 404
ILE B 365
ASP B 360
TYR B  45
TYR B 807
 None
None
MG  B 901 (-2.8A)
None
None
 1.26A 2ya7C-6bywB:
undetectable		 2ya7C-6bywB:
13.32
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 ILE A 117
ASP A 305
TYR A 206
LEU A 187
ARG A 488
 None
 1.15A 2ya7C-6c93A:
undetectable		 2ya7C-6c93A:
9.33
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.
6ejb XYLOSYLTRANSFERASE 1

(Homo sapiens) 		no annotation 5 ARG A 957
ASP A 433
PHE A 330
LEU A 422
TYR A 617
 None
 1.48A 2ya7C-6ejbA:
undetectable		 2ya7C-6ejbA:
11.09
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 6 ARG A 250
ILE A 251
ASP A 318
ARG A 661
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-4.7A)
G39  A 908 ( 4.2A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.83A 2ya7C-6eksA:
41.2		 2ya7C-6eksA:
22.19
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 6 ARG A 250
ILE A 251
ASP A 318
LEU A 606
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-4.7A)
G39  A 908 ( 4.2A)
None
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 1.27A 2ya7C-6eksA:
41.2		 2ya7C-6eksA:
22.19
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 ASP D 114
ILE D 115
ASP D 642
PHE D 331
LEU D 619
 BQZ  D 708 ( 4.8A)
None
None
None
None
 1.42A 2ya7C-6eq8D:
undetectable		 2ya7C-6eq8D:
9.51
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 5 ILE A 346
ASP A 351
ASP A 207
ASP A 208
LEU A 245
 None
None
ZN  A 402 ( 2.2A)
None
None
 1.38A 2ya7C-6eslA:
undetectable		 2ya7C-6eslA:
10.55
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 ARG A 438
ILE A 442
ASP A 439
ARG A 392
TYR A 466
 None
 1.26A 2ya7C-6fbtA:
undetectable		 2ya7C-6fbtA:
10.43
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.
1b55 TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF00169
(PH)
PF00779
(BTK) 		4 ASP A  57
ILE A  56
GLN A  15
GLU A 108
 None
None
4IP  A 171 (-4.6A)
None
 1.29A 2ya7C-1b55A:
0.0		 2ya7C-1b55A:
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.
1c3c PROTEIN
(ADENYLOSUCCINATE
LYASE)

(Thermotoga
maritima) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ARG A  86
ASP A  84
ILE A  48
GLU A  35
 None
 1.36A 2ya7C-1c3cA:
undetectable		 2ya7C-1c3cA:
20.47
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		4 ARG B 553
ASP A  89
ILE A  90
GLN B 159
 None
 1.35A 2ya7C-1cp9B:
undetectable		 2ya7C-1cp9B:
22.96
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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		4 ARG A  34
ASP A  32
ILE A  31
GLU A  37
 None
NAD  A 800 (-2.8A)
None
None
 1.23A 2ya7C-1fk8A:
undetectable		 2ya7C-1fk8A:
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.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 ARG A 191
ASP A 158
ILE A 159
TYR A 261
 None
CPS  A5006 ( 4.9A)
None
None
 1.23A 2ya7C-1hv5A:
undetectable		 2ya7C-1hv5A:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		4 ARG A  52
ASP A 344
ILE A 559
GLU A 238
 None
 1.32A 2ya7C-1iduA:
undetectable		 2ya7C-1iduA:
21.02
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.
1l4a S-SNAP25 FUSION
PROTEIN
S-SYNTAXIN
SYNAPTOBREVIN

(Doryteuthis
pealeii) 		PF00804
(Syntaxin)
PF00957
(Synaptobrevin)
PF05739
(SNARE)
no annotation 		4 ASP A  73
ILE A  69
GLN C  56
GLU B 231
 ASP  A  73 ( 0.6A)
ILE  A  69 ( 0.7A)
GLN  C  56 ( 0.6A)
GLU  B 231 ( 0.5A)
 1.42A 2ya7C-1l4aA:
undetectable		 2ya7C-1l4aA:
9.53
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.
1mv5 MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Lactococcus
lactis) 		PF00005
(ABC_tran) 		4 ARG A 497
ILE A 407
GLN A 394
GLU A 413
 None
 1.45A 2ya7C-1mv5A:
undetectable		 2ya7C-1mv5A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mwp AMYLOID A4 PROTEIN

(Homo sapiens) 		PF02177
(APP_N) 		4 ASP A  64
ILE A  63
GLN A  71
GLU A  67
 None
 0.88A 2ya7C-1mwpA:
undetectable		 2ya7C-1mwpA:
12.19
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		4 ARG A 522
ASP A 504
ILE A 505
GLN A  67
 None
 1.09A 2ya7C-1p49A:
undetectable		 2ya7C-1p49A:
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.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		4 ARG A 304
ILE A  34
GLN A  31
GLU A  32
 PT  A2005 (-3.9A)
None
None
None
 1.24A 2ya7C-1q2lA:
undetectable		 2ya7C-1q2lA:
19.98
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.
1q2y SIMILAR TO
HYPOTHETICAL
PROTEINS

(Bacillus
subtilis) 		PF13673
(Acetyltransf_10) 		4 ARG A  58
ASP A 129
ILE A 132
GLN A 109
 None
 1.44A 2ya7C-1q2yA:
undetectable		 2ya7C-1q2yA:
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.
1sxj ACTIVATOR 1 41 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		4 ASP D 266
ILE D 267
GLN D 303
GLU D 257
 None
 1.20A 2ya7C-1sxjD:
undetectable		 2ya7C-1sxjD:
22.52
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.
1u31 NAD(P)
TRANSHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02233
(PNTB) 		4 ARG A 202
ASP A  67
ILE A  65
GLN A  62
 None
 1.33A 2ya7C-1u31A:
undetectable		 2ya7C-1u31A:
17.89
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		4 ARG A 171
ASP A 308
GLN A 183
TYR A 129
 None
 1.38A 2ya7C-1ukcA:
undetectable		 2ya7C-1ukcA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcd MAJOR STRUCTURAL
PROTEIN VP2

(Infectious
bursal disease
virus) 		PF01766
(Birna_VP2) 		4 ASP J 235
ILE J 305
GLN J 303
TYR J  72
 None
 1.17A 2ya7C-1wcdJ:
undetectable		 2ya7C-1wcdJ:
23.33
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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans) 		PF04616
(Glyco_hydro_43) 		4 ASP A 238
ILE A 239
GLN A 173
GLU A 155
 None
 1.02A 2ya7C-1wl7A:
1.5		 2ya7C-1wl7A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7a CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF01522
(Polysacc_deac_1) 		4 ASP A 132
ILE A 131
GLN A 140
GLU A 141
 None
 0.92A 2ya7C-1z7aA:
undetectable		 2ya7C-1z7aA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		4 ASP A 291
GLN A 493
GLU A 539
TYR A 587
 SIA  A1692 (-2.8A)
SIA  A1692 (-3.0A)
SIA  A1692 ( 3.9A)
None
 0.28A 2ya7C-2bf6A:
52.3		 2ya7C-2bf6A:
43.11
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.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		4 ARG A 614
ASP A 368
ILE A 345
GLN A 346
 None
 1.42A 2ya7C-2d3iA:
undetectable		 2ya7C-2d3iA:
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.
2d4a MALATE DEHYDROGENASE

(Aeropyrum
pernix) 		no annotation 4 ASP B 258
ILE B 259
GLN B 293
GLU B 300
 None
 1.19A 2ya7C-2d4aB:
undetectable		 2ya7C-2d4aB:
22.78
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.
2egg SHIKIMATE
5-DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ARG A 201
ASP A 169
ILE A 168
GLU A 166
 None
 1.28A 2ya7C-2eggA:
undetectable		 2ya7C-2eggA:
20.96
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 ARG A 443
ASP A 424
ILE A 394
GLU A 247
 None
 1.40A 2ya7C-2g39A:
undetectable		 2ya7C-2g39A:
22.08
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.
2g6t UNCHARACTERIZED
PROTEIN, HOMOLOG
HI1244 FROM
HAEMOPHILUS
INFLUENZAE

(Clostridium
acetobutylicum) 		PF08942
(DUF1919) 		4 ARG A 209
ILE A 108
GLU A  85
TYR A  71
 None
 1.33A 2ya7C-2g6tA:
undetectable		 2ya7C-2g6tA:
21.98
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.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 ARG A 122
ASP A 123
ILE A 202
GLU A 130
 None
None
None
ASP  A 502 (-3.3A)
 1.32A 2ya7C-2hmfA:
undetectable		 2ya7C-2hmfA:
22.78
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHL

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox) 		4 ARG C 110
ASP C 245
GLN C 236
GLU C 239
 None
 1.45A 2ya7C-2inpC:
undetectable		 2ya7C-2inpC:
23.23
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		4 ARG A  84
ILE A 234
GLN A  60
GLU A  59
 None
 1.43A 2ya7C-2ivdA:
undetectable		 2ya7C-2ivdA:
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.
2lbo MICRONEME PROTEIN 3

(Eimeria tenella) 		PF10564
(MAR_sialic_bdg) 		4 ARG A  10
ASP A 100
ILE A  97
GLU A  92
 None
 1.21A 2ya7C-2lboA:
undetectable		 2ya7C-2lboA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 180
ASP A 142
ILE A 141
TYR A 137
 None
 1.22A 2ya7C-2ovlA:
undetectable		 2ya7C-2ovlA:
21.21
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.
2pft EXOCYTOSIS PROTEIN

(Mus musculus) 		PF03081
(Exo70) 		4 ARG A 637
ASP A 643
ILE A 645
GLN A 604
 None
 1.26A 2ya7C-2pftA:
undetectable		 2ya7C-2pftA:
21.54
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A 122
ASP A 118
GLN A 379
GLU A 267
 None
 1.30A 2ya7C-2qo3A:
undetectable		 2ya7C-2qo3A:
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		4 ARG A 230
ASP A 175
GLN A  90
GLU A 142
 None
 1.02A 2ya7C-2qy1A:
undetectable		 2ya7C-2qy1A:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ASP A 372
ILE A 442
GLN A 602
GLU A 647
TYR A 695
 None
 0.74A 2ya7C-2w20A:
68.0		 2ya7C-2w20A:
94.72
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.
2wb7 PT26-6P

(Thermococcus
sp. 26-2) 		no annotation 4 ARG A 641
ILE A 653
GLU A 649
TYR A 297
 None
 1.17A 2ya7C-2wb7A:
undetectable		 2ya7C-2wb7A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhe SYNTAXIN1
UNC18

(Monosiga
brevicollis) 		PF00804
(Syntaxin)
PF00995
(Sec1)
PF05739
(SNARE) 		4 ASP B 132
ILE B 135
GLU A  55
TYR A  94
 None
 1.40A 2ya7C-2xheB:
undetectable		 2ya7C-2xheB:
17.84
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 ARG A  35
ASP A 254
ILE A 251
GLU A 606
 None
 1.27A 2ya7C-2xheA:
undetectable		 2ya7C-2xheA:
23.42
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.
2y3v SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
HOMOLOG

(Danio rerio) 		PF16531
(SAS-6_N) 		4 ARG A   9
ILE A  30
GLN A  85
GLU A  92
 None
 1.14A 2ya7C-2y3vA:
undetectable		 2ya7C-2y3vA:
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 ARG A 282
ASP A 209
GLU A 155
TYR A 161
 None
CA  A1525 (-3.4A)
None
EDO  A 552 (-4.9A)
 1.31A 2ya7C-2yeqA:
undetectable		 2ya7C-2yeqA:
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 ARG A 424
ILE A 415
GLN A 418
GLU A 290
 None
 1.44A 2ya7C-2z5xA:
undetectable		 2ya7C-2z5xA:
22.83
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.
3a2k TRNA(ILE)-LYSIDINE
SYNTHASE

(Geobacillus
kaustophilus) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		4 ARG A 203
ASP A 131
ILE A 152
TYR A 108
 C  C  35 ( 3.9A)
C  C  35 ( 4.0A)
A  C  36 ( 4.7A)
A  C  36 ( 3.8A)
 1.15A 2ya7C-3a2kA:
undetectable		 2ya7C-3a2kA:
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.
3aag GENERAL
GLYCOSYLATION
PATHWAY PROTEIN

(Campylobacter
jejuni) 		PF02516
(STT3) 		4 ARG A 450
ASP A 452
ILE A 560
GLU A 510
 MLY  A 445 ( 3.3A)
None
None
MLY  A 471 ( 3.0A)
 1.39A 2ya7C-3aagA:
undetectable		 2ya7C-3aagA:
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.
3b9n ALKANE MONOOXYGENASE

(Geobacillus
thermodenitrificans) 		PF00296
(Bac_luciferase) 		4 ASP A 260
ILE A 261
GLN A 226
TYR A 158
 None
 1.20A 2ya7C-3b9nA:
undetectable		 2ya7C-3b9nA:
22.74
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		4 ASP A 132
ILE A 131
GLN A 140
GLU A 141
 None
 0.97A 2ya7C-3cl6A:
undetectable		 2ya7C-3cl6A:
21.26
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.
3e58 PUTATIVE
BETA-PHOSPHOGLUCOMUT
ASE

(Streptococcus
thermophilus) 		PF13419
(HAD_2) 		4 ARG A  23
ASP A 115
ILE A 116
GLU A 136
 None
 1.43A 2ya7C-3e58A:
undetectable		 2ya7C-3e58A:
16.97
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.
3euw MYO-INOSITOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ARG A 296
ASP A  65
ILE A  64
GLU A  28
 None
 1.32A 2ya7C-3euwA:
undetectable		 2ya7C-3euwA:
20.40
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.
3fdq MOTILITY GENE
REPRESSOR MOGR

(Listeria
monocytogenes) 		PF12181
(MogR_DNAbind) 		4 ASP A  38
ILE A  86
GLN A  85
GLU A  44
 None
 1.41A 2ya7C-3fdqA:
undetectable		 2ya7C-3fdqA:
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.
3gcg L0028 (MITOCHONDRIA
ASSOCIATED PROTEIN)

(Escherichia
coli) 		PF03278
(IpaB_EvcA) 		4 ARG B  96
GLN B 171
GLU B 167
TYR B  82
 None
 1.42A 2ya7C-3gcgB:
undetectable		 2ya7C-3gcgB:
15.40
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		4 ARG A 526
ASP A 396
GLU A 447
TYR A 415
 None
 1.37A 2ya7C-3h7nA:
2.4		 2ya7C-3h7nA:
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
PROBABLE EXOSOME
COMPLEX RNA-BINDING
PROTEIN 1

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
no annotation 		4 ARG B  64
ASP C 138
ILE C 137
TYR C  69
 None
 1.21A 2ya7C-3l7zB:
undetectable		 2ya7C-3l7zB:
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.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		4 ARG A 358
ILE A 175
GLU A 133
TYR A 170
 None
 1.44A 2ya7C-3lm3A:
undetectable		 2ya7C-3lm3A:
23.22
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.
3p2f AHL SYNTHASE

(Burkholderia
glumae) 		PF00765
(Autoind_synth) 		4 ARG A  23
ASP A  45
GLN A  80
GLU A 101
 None
 1.45A 2ya7C-3p2fA:
undetectable		 2ya7C-3p2fA:
15.45
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.
3q4g NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Vibrio cholerae) 		PF02540
(NAD_synthase) 		4 ARG A 199
ASP A 241
ILE A 240
GLU A 171
 None
 1.44A 2ya7C-3q4gA:
undetectable		 2ya7C-3q4gA:
20.12
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.
3qlb ENANTIO-PYOCHELIN
RECEPTOR

(Pseudomonas
fluorescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG A 263
ILE A 209
GLN A  90
TYR A 686
 None
 1.16A 2ya7C-3qlbA:
undetectable		 2ya7C-3qlbA:
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		4 ARG A 197
ASP A 318
ILE A 320
GLU A 346
 SO4  A 507 (-3.8A)
None
None
None
 1.44A 2ya7C-3rmtA:
undetectable		 2ya7C-3rmtA:
23.44
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.
3sds ORNITHINE
CARBAMOYLTRANSFERASE
, MITOCHONDRIAL

(Coccidioides
immitis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 275
ASP A 192
GLN A 244
GLU A 220
 None
 1.08A 2ya7C-3sdsA:
undetectable		 2ya7C-3sdsA:
23.06
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		4 ARG A  25
ILE A 202
GLU A 236
TYR A 247
 SAM  A 300 (-4.0A)
None
None
None
 1.14A 2ya7C-3t7sA:
undetectable		 2ya7C-3t7sA:
20.94
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.
3tkn NUCLEOPORIN NUP82

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 190
ILE A 226
GLN A 252
GLU A 332
 None
 1.20A 2ya7C-3tknA:
5.2		 2ya7C-3tknA:
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 ARG A 271
ASP A 266
GLN A 249
GLU A 248
 None
 1.43A 2ya7C-3zqjA:
undetectable		 2ya7C-3zqjA:
20.86
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.
4a0k CULLIN-4A

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 ARG A 742
ASP A 697
ILE A 696
GLN A 722
 None
 1.26A 2ya7C-4a0kA:
undetectable		 2ya7C-4a0kA:
21.12
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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		4 ARG A 333
ILE A 367
GLU A 195
TYR A 154
 None
 1.33A 2ya7C-4adeA:
undetectable		 2ya7C-4adeA:
21.78
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.
4aez MITOTIC SPINDLE
CHECKPOINT COMPONENT
MAD3
WD REPEAT-CONTAINING
PROTEIN SLP1

(Schizosaccharomyces
pombe) 		PF00400
(WD40)
PF08311
(Mad3_BUB1_I)
PF12894
(ANAPC4_WD40) 		4 ARG A 281
ASP A 180
ILE A 178
GLU C  47
 None
 1.45A 2ya7C-4aezA:
2.8		 2ya7C-4aezA:
22.54
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 ARG A 115
ASP A  68
ILE A  69
TYR A 106
 None
 1.28A 2ya7C-4cgnA:
undetectable		 2ya7C-4cgnA:
21.80
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.
4el1 PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		4 ARG A 132
ASP A 180
ILE A 179
GLN A 233
 None
 1.32A 2ya7C-4el1A:
undetectable		 2ya7C-4el1A:
24.13
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ARG A 725
ASP A 862
ILE A1051
TYR A 301
 None
 1.32A 2ya7C-4f4cA:
undetectable		 2ya7C-4f4cA:
16.80
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.
4gf8 PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio cholerae) 		PF00496
(SBP_bac_5) 		4 ASP A 283
ILE A 284
GLN A 375
TYR A 321
 None
 1.37A 2ya7C-4gf8A:
undetectable		 2ya7C-4gf8A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		4 ARG A 408
ILE A 423
GLN A 290
GLU A 425
 None
 1.28A 2ya7C-4gz7A:
undetectable		 2ya7C-4gz7A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0o PROTEIN ELYS

(Mus musculus) 		PF16687
(ELYS-bb) 		4 ARG A 457
ASP A 403
ILE A 404
GLU A 276
 None
 1.40A 2ya7C-4i0oA:
6.6		 2ya7C-4i0oA:
20.38
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.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 ARG A 355
ASP A 361
ILE A 359
GLN A  62
 None
 1.41A 2ya7C-4idmA:
undetectable		 2ya7C-4idmA:
22.11
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.
4jfn AMYLOID BETA A4
PROTEIN

(Homo sapiens) 		PF02177
(APP_N) 		4 ASP A  64
ILE A  63
GLN A  71
GLU A  67
 None
 0.79A 2ya7C-4jfnA:
undetectable		 2ya7C-4jfnA:
15.32
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.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
RAS-RELATED PROTEIN
RAB-1A

(Homo sapiens;
Legionella
drancourtii) 		PF00071
(Ras)
no annotation 		4 ASP A 495
ILE A 487
GLN A 483
TYR B  80
 None
 1.37A 2ya7C-4jvsA:
undetectable		 2ya7C-4jvsA:
20.53
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		4 ILE A 281
GLN A 352
GLU A 275
TYR A 205
 None
 1.14A 2ya7C-4k05A:
undetectable		 2ya7C-4k05A:
22.66
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.
4kc3 INTERLEUKIN-1
RECEPTOR-LIKE 1
INTERLEUKIN-33

(Homo sapiens) 		PF07679
(I-set)
PF15095
(IL33) 		4 ASP A 157
ILE A 134
GLU A 148
TYR B 119
 None
 1.26A 2ya7C-4kc3A:
1.0		 2ya7C-4kc3A:
16.05
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 ARG A 644
ILE A 592
GLN A 593
TYR A 338
 None
 1.40A 2ya7C-4ktpA:
undetectable		 2ya7C-4ktpA:
19.74
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		4 ILE A 217
GLN A 160
GLU A 137
TYR A  72
 None
 1.24A 2ya7C-4l9zA:
undetectable		 2ya7C-4l9zA:
22.89
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.
4mph D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF02557
(VanY) 		4 ARG A 127
ASP A 167
ILE A 220
TYR A 215
 None
ZN  A 400 ( 1.8A)
None
None
 1.43A 2ya7C-4mphA:
undetectable		 2ya7C-4mphA:
17.93
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.
4mps BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE 1

(Rattus
norvegicus) 		PF00777
(Glyco_transf_29) 		4 ARG A 180
ASP A 336
ILE A 337
GLU A 381
 None
 1.23A 2ya7C-4mpsA:
undetectable		 2ya7C-4mpsA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ARG A 892
ILE C  45
GLU C  33
TYR C  35
 None
 1.30A 2ya7C-4qiwA:
undetectable		 2ya7C-4qiwA:
18.86
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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 ARG A1317
ASP A1321
ILE A1322
GLU A1933
 None
 1.01A 2ya7C-4r7yA:
undetectable		 2ya7C-4r7yA:
22.68
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.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 ARG A 162
ASP A 158
ILE A 156
GLU A 201
 None
 1.35A 2ya7C-4xe7A:
undetectable		 2ya7C-4xe7A:
22.52
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 4 ARG E 526
ASP E 396
GLU E 447
TYR E 415
 None
 1.20A 2ya7C-4xmmE:
3.2		 2ya7C-4xmmE:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		4 ARG K 373
ASP K 111
ILE K  19
GLN K  13
 None
 1.38A 2ya7C-5anbK:
undetectable		 2ya7C-5anbK:
18.45
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.
5chl HISTONE H2A.Z
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 72 HOMOLOG

(Drosophila
melanogaster;
Homo sapiens) 		PF00125
(Histone)
PF05764
(YL1)
PF16211
(Histone_H2A_C) 		4 ASP A  59
ILE A  62
GLU A  64
TYR B  90
 None
 1.19A 2ya7C-5chlA:
undetectable		 2ya7C-5chlA:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ARG A 932
ASP A1042
ILE A1043
GLU A1034
 None
None
None
EDO  A1603 (-2.7A)
 1.41A 2ya7C-5dotA:
undetectable		 2ya7C-5dotA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 ASP A 186
ILE A 190
GLU A 533
TYR A 127
 None
 1.34A 2ya7C-5e84A:
undetectable		 2ya7C-5e84A:
22.93
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.
5ecj PR DOMAIN ZINC
FINGER PROTEIN
14,PROTEIN CBFA2T2

(Mus musculus) 		PF00856
(SET)
PF07531
(TAFH) 		4 ILE A 122
GLN A 149
GLU A 111
TYR A 176
 None
 1.30A 2ya7C-5ecjA:
undetectable		 2ya7C-5ecjA:
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.
5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ASP G 440
ILE G 326
GLN G 422
GLU G 381
 None
None
EPE  G 514 ( 4.6A)
None
 1.40A 2ya7C-5f9oG:
undetectable		 2ya7C-5f9oG:
19.20
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.
5hiw CYTOCHROME P450
CYP260B1

(Sorangium
cellulosum) 		PF00067
(p450) 		4 ARG A 315
ASP A 320
ILE A 321
GLN A 257
 None
 1.31A 2ya7C-5hiwA:
undetectable		 2ya7C-5hiwA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
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)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ASP A 260
GLN B1205
GLU B1206
TYR B1198
 None
 1.34A 2ya7C-5ip9A:
undetectable		 2ya7C-5ip9A:
13.73
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.
5ix1 MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Mus musculus) 		PF07496
(zf-CW)
PF13589
(HATPase_c_3) 		4 ARG A 195
ASP A  53
ILE A 268
GLN A 271
 None
 1.34A 2ya7C-5ix1A:
undetectable		 2ya7C-5ix1A:
21.52
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 ARG B3971
ASP B4289
GLN B4298
GLU B4246
 None
 1.46A 2ya7C-5lp8B:
undetectable		 2ya7C-5lp8B:
21.26
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		4 ASP N 677
ILE N 678
GLN N 703
TYR N 788
 None
 1.43A 2ya7C-5mpdN:
undetectable		 2ya7C-5mpdN:
19.70
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 ARG A 445
ILE A 492
GLN A 542
GLU A 541
 None
None
None
GOL  A 701 (-2.8A)
 1.15A 2ya7C-5no8A:
undetectable		 2ya7C-5no8A:
22.13
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.
5ukw GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Homo sapiens) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 ARG A 246
GLN A 395
GLU A 239
TYR A 202
 None
BG6  A 601 (-3.2A)
BG6  A 601 (-2.9A)
BG6  A 601 (-4.8A)
 1.42A 2ya7C-5ukwA:
undetectable		 2ya7C-5ukwA:
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ARG A 808
ASP A 441
GLN A 783
GLU A 761
 None
 1.15A 2ya7C-5v9xA:
undetectable		 2ya7C-5v9xA:
11.09
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.
5wq7 PUTATIVE TYPE II
SECRETION SYSTEM
PROTEIN D

(Escherichia
coli) 		PF00263
(Secretin)
PF03958
(Secretin_N) 		4 ARG A 322
ASP A 429
ILE A 570
GLU A 476
 None
 1.44A 2ya7C-5wq7A:
undetectable		 2ya7C-5wq7A:
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.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG C 897
ASP C 893
ILE C 891
GLN C 928
 None
 1.17A 2ya7C-5x6oC:
undetectable		 2ya7C-5x6oC:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y92 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR2

(Arabidopsis
thaliana) 		no annotation 4 ARG A 103
ASP A 229
ILE A 224
GLU A 396
 None
 1.33A 2ya7C-5y92A:
undetectable		 2ya7C-5y92A:
11.75
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.
5y96 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR1

(Arabidopsis
thaliana) 		no annotation 4 ARG B 102
ASP B 228
ILE B 223
GLU B 393
 None
 1.29A 2ya7C-5y96B:
undetectable		 2ya7C-5y96B:
9.50
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.
5yix RNA POLYMERASE SIGMA
FACTOR RPOD

(Caulobacter
vibrioides) 		no annotation 4 ARG A 145
ASP A 457
GLN A 477
GLU A 183
 None
 1.37A 2ya7C-5yixA:
undetectable		 2ya7C-5yixA:
11.79
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.
6fhe -

(-) 		no annotation 4 ARG A  75
ASP A  72
GLN A  97
GLU A  53
 None
 1.16A 2ya7C-6fheA:
undetectable		 2ya7C-6fheA:
undetectable