SIMILAR PATTERNS OF AMINO ACIDS FOR 4Y8W_B_STRB603

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 VAL A 408
TRP A 532
ARG A 525
GLY A 335
VAL A 294
 None
 0.97A 4y8wB-1b41A:
0.0		 4y8wB-1b41A:
21.77
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.
1cli PROTEIN
(PHOSPHORIBOSYL-AMIN
OIMIDAZOLE
SYNTHETASE)

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 VAL A 302
ASP A 270
ILE A 330
GLY A 331
VAL A 313
 None
 1.10A 4y8wB-1cliA:
undetectable		 4y8wB-1cliA:
23.40
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.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A  59
LEU A  58
ASP A 158
GLY A  56
LEU A   9
 AP5  A 215 (-3.7A)
AP5  A 215 (-4.1A)
None
AP5  A 215 ( 4.6A)
AP5  A 215 (-3.9A)
 1.08A 4y8wB-1e4yA:
0.0		 4y8wB-1e4yA:
19.66
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.
1ejb LUMAZINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		5 SER A  60
VAL A  35
LEU A  34
ILE A  87
GLY A 123
 INJ  A 200 (-2.8A)
None
None
None
None
 1.01A 4y8wB-1ejbA:
0.0		 4y8wB-1ejbA:
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.
1g67 THIAMIN PHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		5 ASP A 192
VAL A 205
ILE A 189
GLY A 188
VAL A 165
 None
None
None
TZP  A2005 (-3.5A)
None
 1.09A 4y8wB-1g67A:
undetectable		 4y8wB-1g67A:
18.99
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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 LEU A 425
ILE A 351
GLY A 350
VAL A 384
LEU A 389
 None
 1.08A 4y8wB-1g8xA:
0.0		 4y8wB-1g8xA:
19.34
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.
1hjr HOLLIDAY JUNCTION
RESOLVASE (RUVC)

(Escherichia
coli) 		PF02075
(RuvC) 		5 VAL A 106
ASP A   7
ILE A 145
GLY A   5
VAL A  98
 None
 1.12A 4y8wB-1hjrA:
0.0		 4y8wB-1hjrA:
15.51
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.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		5 ASP A 395
LEU A 680
ILE A 401
VAL A 384
LEU A 392
 None
 0.99A 4y8wB-1i6qA:
undetectable		 4y8wB-1i6qA:
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 VAL A 781
VAL A 770
LEU A 769
VAL A 649
LEU A 646
 None
 1.01A 4y8wB-1ileA:
undetectable		 4y8wB-1ileA:
21.85
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.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 VAL A  29
ILE A  18
GLY A 100
VAL A   3
LEU A 145
 None
None
None
EOH  A 572 ( 4.2A)
None
 0.88A 4y8wB-1j71A:
undetectable		 4y8wB-1j71A:
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.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 SER A  62
VAL A  36
LEU A  35
ILE A  84
GLY A 120
 None
 1.02A 4y8wB-1kz1A:
undetectable		 4y8wB-1kz1A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nd1 BAP1

(Bothrops asper) 		PF01421
(Reprolysin) 		5 VAL A 136
ARG A  32
ILE A  18
GLY A  17
VAL A  67
 None
 1.03A 4y8wB-1nd1A:
undetectable		 4y8wB-1nd1A:
17.43
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 VAL A 216
LEU A 173
GLY A 100
VAL A 134
LEU A 155
 None
 1.10A 4y8wB-1rf5A:
undetectable		 4y8wB-1rf5A:
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.
1ta3 XYLANASE INHIBITOR
PROTEIN I

(Triticum
aestivum) 		PF00704
(Glyco_hydro_18) 		6 VAL A  33
LEU A 120
ASP A  62
ILE A  63
GLY A  60
LEU A  51
 None
 1.49A 4y8wB-1ta3A:
undetectable		 4y8wB-1ta3A:
20.20
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 304
ASP A 311
ILE A 309
GLY A 313
VAL A 340
 None
 0.96A 4y8wB-1v8bA:
undetectable		 4y8wB-1v8bA:
23.67
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.
1wsp AXIN 1 PROTEIN

(Rattus
norvegicus) 		PF00778
(DIX) 		5 VAL A 770
LEU A 817
ILE A 824
GLY A 826
LEU A 784
 None
 0.84A 4y8wB-1wspA:
undetectable		 4y8wB-1wspA:
13.11
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.
1yii ANNEXIN A5

(Gallus gallus) 		PF00191
(Annexin) 		5 VAL A 178
LEU A 179
ILE A 197
VAL A 240
LEU A 152
 None
 0.94A 4y8wB-1yiiA:
undetectable		 4y8wB-1yiiA:
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 VAL A  29
ILE A  18
GLY A 100
VAL A   3
LEU A 144
 None
 0.86A 4y8wB-1zapA:
undetectable		 4y8wB-1zapA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		5 ASP A  62
LEU A 109
ILE A  92
GLY A  91
VAL A 162
 NAI  A1270 (-3.1A)
None
NAI  A1270 (-4.6A)
NAI  A1270 (-3.9A)
None
 1.02A 4y8wB-1zjyA:
undetectable		 4y8wB-1zjyA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 ARG C 325
ASP C 352
GLY C 334
VAL C 396
LEU C 316
 None
 1.03A 4y8wB-1zq1C:
undetectable		 4y8wB-1zq1C:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3y URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		5 ASP A  75
SER A  77
VAL A  43
GLY A  57
LEU A  81
 ACT  A 222 ( 4.9A)
ACT  A 222 ( 4.2A)
None
ACT  A 222 ( 4.7A)
None
 0.98A 4y8wB-2d3yA:
undetectable		 4y8wB-2d3yA:
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.
2ga8 HYPOTHETICAL 39.9
KDA PROTEIN

(Saccharomyces
cerevisiae) 		PF07728
(AAA_5) 		5 VAL A  30
ASP A 336
ILE A 337
GLY A 334
VAL A 306
 None
None
None
None
BME  A 501 ( 4.3A)
 1.12A 4y8wB-2ga8A:
undetectable		 4y8wB-2ga8A:
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 VAL A  29
ILE A  18
GLY A 100
VAL A   3
LEU A 144
 None
 0.87A 4y8wB-2h6tA:
undetectable		 4y8wB-2h6tA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6t UBIQUITIN-CONJUGATIN
G ENZYME E2-LIKE
ISOFORM A

(Homo sapiens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 390
ILE A 317
GLY A 316
VAL A 288
LEU A 433
 None
GOL  A   6 (-3.8A)
None
None
None
 1.06A 4y8wB-2i6tA:
undetectable		 4y8wB-2i6tA:
21.44
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 VAL X 273
LEU X 218
ILE X 216
VAL X 299
LEU X 312
 None
 1.10A 4y8wB-2iv2X:
undetectable		 4y8wB-2iv2X:
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		5 VAL A  96
VAL A  99
ILE A  29
GLY A  30
LEU A  37
 None
 1.07A 4y8wB-2qpqA:
undetectable		 4y8wB-2qpqA:
21.40
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 VAL A  29
ILE A  18
GLY A 100
VAL A   3
LEU A 144
 None
 0.89A 4y8wB-2qzxA:
undetectable		 4y8wB-2qzxA:
20.75
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		5 SER A 228
VAL A 401
ASP A 226
ILE A 247
LEU A 263
 None
 1.11A 4y8wB-2ragA:
undetectable		 4y8wB-2ragA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 VAL A 418
ILE A 368
GLY A 366
VAL A 481
LEU A 478
 None
 1.06A 4y8wB-2wpgA:
undetectable		 4y8wB-2wpgA:
23.26
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 SER A 465
LEU A 357
ILE A 540
GLY A 541
LEU A 477
 None
 1.05A 4y8wB-3a9sA:
undetectable		 4y8wB-3a9sA:
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 VAL A 129
ILE A 252
GLY A 255
VAL A 279
LEU A 269
 None
 1.05A 4y8wB-3abbA:
34.6		 4y8wB-3abbA:
25.29
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.
3blx ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		5 SER B 302
VAL B 350
LEU B 354
ILE B  43
LEU B 306
 None
 1.12A 4y8wB-3blxB:
undetectable		 4y8wB-3blxB:
22.40
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.
3clm TRANSALDOLASE

(Neisseria
gonorrhoeae) 		PF00923
(TAL_FSA) 		5 VAL A 273
VAL A   7
LEU A   4
ILE A   3
GLY A   0
 None
 1.09A 4y8wB-3clmA:
undetectable		 4y8wB-3clmA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3es1 CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Novosphingobium
aromaticivorans) 		PF07883
(Cupin_2) 		5 ARG A  81
ASP A 100
GLY A 102
VAL A 121
LEU A 111
 None
 1.05A 4y8wB-3es1A:
undetectable		 4y8wB-3es1A:
17.22
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 469
SER A 488
VAL A 271
LEU A 267
LEU A 295
 None
 1.12A 4y8wB-3gdnA:
undetectable		 4y8wB-3gdnA:
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		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) 		5 VAL B1016
LEU B1015
ILE A 672
GLY A 673
VAL A 749
 None
 0.91A 4y8wB-3h0gB:
undetectable		 4y8wB-3h0gB:
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.
3hnp OXIDOREDUCTASE

(Bacillus cereus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		6 LEU A 332
ASP A 181
ILE A 177
GLY A 176
VAL A 212
LEU A 214
 None
 1.48A 4y8wB-3hnpA:
undetectable		 4y8wB-3hnpA:
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A 337
LEU A 346
ILE A 343
VAL A 177
LEU A 238
 None
 1.09A 4y8wB-3i3wA:
undetectable		 4y8wB-3i3wA:
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.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 ASP A 187
LEU A 261
GLY A 263
VAL A 281
LEU A 240
 None
 0.94A 4y8wB-3kswA:
30.2		 4y8wB-3kswA:
24.35
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.
3m6c 60 KDA CHAPERONIN 1

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		5 VAL A 293
LEU A 290
ILE A 191
GLY A 192
VAL A 274
 None
 1.05A 4y8wB-3m6cA:
undetectable		 4y8wB-3m6cA:
19.34
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.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE

(Selenomonas
ruminantium) 		PF14566
(PTPlike_phytase) 		5 VAL A 180
TRP A  56
ASP A 142
ILE A 144
GLY A 143
 None
 1.01A 4y8wB-3mozA:
undetectable		 4y8wB-3mozA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps0 CRISPR-ASSOCIATED
PROTEIN, CSA2

(Sulfolobus
solfataricus) 		PF01905
(DevR) 		5 VAL A  62
LEU A  61
ILE A 117
GLY A 121
LEU A 139
 None
 0.94A 4y8wB-3ps0A:
undetectable		 4y8wB-3ps0A:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		6 VAL A 101
ASP A 107
SER A 109
ARG A 232
VAL A 358
LEU A 362
 None
None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-3.8A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.97A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		5 VAL A 101
SER A 109
ASP A 286
GLY A 290
VAL A 469
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 ( 4.7A)
3QZ  A 501 (-3.9A)
None
 1.11A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		7 VAL A 101
SER A 109
TRP A 200
ARG A 232
ASP A 286
VAL A 358
LEU A 362
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.1A)
3QZ  A 501 (-3.8A)
3QZ  A 501 ( 4.7A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.72A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		5 VAL A 101
SER A 109
TRP A 200
ASP A 286
GLY A 290
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.1A)
3QZ  A 501 ( 4.7A)
3QZ  A 501 (-3.9A)
 1.03A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 470
SER A 489
VAL A 272
LEU A 268
LEU A 296
 None
 1.08A 4y8wB-3redA:
undetectable		 4y8wB-3redA:
21.74
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ASP A 390
TRP A 706
GLY A 702
VAL A 645
LEU A 653
 None
 1.06A 4y8wB-3viuA:
undetectable		 4y8wB-3viuA:
21.77
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.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Streptomyces
chartreusis) 		PF01370
(Epimerase) 		5 ASP A 209
SER A 236
VAL A 245
ILE A 291
GLY A 290
 None
 1.08A 4y8wB-3vpsA:
undetectable		 4y8wB-3vpsA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 VAL A 195
VAL A  31
ILE A 120
GLY A 121
LEU A 107
 None
 0.99A 4y8wB-3wrvA:
undetectable		 4y8wB-3wrvA:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 VAL A 195
VAL A  31
ILE A 120
GLY A 121
LEU A 107
 None
 1.10A 4y8wB-3wryA:
undetectable		 4y8wB-3wryA:
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		5 VAL A 194
LEU A 193
ILE A 236
GLY A 237
LEU A 176
 None
None
RRM  A 502 (-4.2A)
RRM  A 502 (-3.7A)
RRM  A 502 (-4.9A)
 1.11A 4y8wB-3wvsA:
32.9		 4y8wB-3wvsA:
26.44
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 VAL A  27
VAL A 135
ILE A 150
GLY A 149
LEU A 192
 None
 0.98A 4y8wB-3zq4A:
undetectable		 4y8wB-3zq4A:
20.97
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.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 322
LEU A 275
GLY A 292
VAL A 299
LEU A 225
 None
 1.07A 4y8wB-4a0sA:
undetectable		 4y8wB-4a0sA:
22.20
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.
4bmv SHORT-CHAIN
DEHYDROGENASE

(Sphingobium
yanoikuyae) 		PF00106
(adh_short) 		5 VAL A 136
LEU A  85
ILE A  86
VAL A  72
LEU A  63
 None
None
None
None
NAP  A 300 (-4.0A)
 0.92A 4y8wB-4bmvA:
undetectable		 4y8wB-4bmvA:
21.73
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.
4c7u SUPEROXIDE DISMUTASE
[MN] 1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 160
SER A 194
LEU A 107
ILE A 100
GLY A  97
 None
 1.12A 4y8wB-4c7uA:
undetectable		 4y8wB-4c7uA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 VAL B 247
VAL B 340
LEU B 341
GLY B 135
LEU B 149
 None
 0.87A 4y8wB-4cakB:
undetectable		 4y8wB-4cakB:
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.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		5 SER A  36
VAL A  52
LEU A  55
ILE A  63
GLY A  19
 SER  A  36 ( 0.0A)
VAL  A  52 ( 0.6A)
LEU  A  55 ( 0.6A)
ILE  A  63 ( 0.7A)
GLY  A  19 ( 0.0A)
 1.02A 4y8wB-4egsA:
undetectable		 4y8wB-4egsA:
16.88
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 261
ILE A 267
GLY A 268
VAL A 221
LEU A 210
 None
None
GOL  A 501 ( 4.0A)
None
None
 1.11A 4y8wB-4f7kA:
undetectable		 4y8wB-4f7kA:
22.35
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.
4hzc CYSE, SERINE
ACETYLTRANSFERASE

(Brucella
abortus) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 VAL A 240
SER A 234
VAL A 210
LEU A 211
GLY A 213
 None
 1.08A 4y8wB-4hzcA:
undetectable		 4y8wB-4hzcA:
21.99
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.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		5 SER A  61
VAL A  36
LEU A  35
ILE A  88
GLY A 124
 None
 0.96A 4y8wB-4kq6A:
undetectable		 4y8wB-4kq6A:
14.52
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.
4kyq PHOSPHOGLUCAN
PHOSPHATASE LSF2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00782
(DSPc) 		5 LEU A 223
ILE A 205
GLY A 202
VAL A 191
LEU A 178
 None
 0.97A 4y8wB-4kyqA:
undetectable		 4y8wB-4kyqA:
18.05
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A  76
LEU A 122
ILE A  72
GLY A  70
VAL A  52
 None
 1.07A 4y8wB-4lxfA:
undetectable		 4y8wB-4lxfA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6b SERINE
ACETYLTRANSFERASE
APOENZYME

(Glycine max) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 VAL A 241
SER A 235
VAL A 211
LEU A 212
GLY A 214
 None
None
None
None
COA  A 300 ( 4.0A)
 1.11A 4y8wB-4n6bA:
undetectable		 4y8wB-4n6bA:
19.60
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.
4q20 SENSOR PROTEIN DIVL

(Caulobacter
vibrioides) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ASP A 619
VAL A 689
LEU A 754
ILE A 650
GLY A 652
 None
 1.01A 4y8wB-4q20A:
undetectable		 4y8wB-4q20A:
23.74
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.
4q9a TAT PATHWAY SIGNAL
SEQUENCE DOMAIN
PROTEIN

(Parabacteroides
merdae) 		PF13472
(Lipase_GDSL_2) 		5 VAL A 132
ASP A 233
ILE A 184
GLY A 181
VAL A 222
 None
 0.96A 4y8wB-4q9aA:
undetectable		 4y8wB-4q9aA:
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycolicibacterium
smegmatis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 VAL A 366
VAL A 355
LEU A 356
ILE A 351
LEU A 312
 None
 0.95A 4y8wB-4qb9A:
undetectable		 4y8wB-4qb9A:
23.43
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		5 ASP A  63
LEU A 110
ILE A  93
GLY A  92
VAL A 163
 None
 1.07A 4y8wB-4rf3A:
undetectable		 4y8wB-4rf3A:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 VAL A 319
SER A 274
VAL A 331
GLY A 215
VAL A 232
 None
ACT  A 409 ( 4.5A)
None
ACT  A 409 (-4.3A)
EDO  A 411 (-3.2A)
 1.10A 4y8wB-4xdtA:
undetectable		 4y8wB-4xdtA:
22.24
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 VAL A 140
LEU A 139
ILE A 158
GLY A 159
LEU A 169
 None
 0.86A 4y8wB-4xriA:
undetectable		 4y8wB-4xriA:
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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A 255
SER A 282
LEU A 245
GLY A 243
LEU A 285
 None
 1.05A 4y8wB-4yv2A:
undetectable		 4y8wB-4yv2A:
20.73
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.
4z0t OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella ovis) 		PF00106
(adh_short) 		5 VAL A 185
VAL A 213
ILE A  19
GLY A  20
VAL A  34
 None
None
BR  A 304 (-4.5A)
None
None
 1.03A 4y8wB-4z0tA:
undetectable		 4y8wB-4z0tA:
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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		5 VAL A 189
LEU A 190
ILE A 212
VAL A 271
LEU A 262
 None
 0.96A 4y8wB-4z4lA:
undetectable		 4y8wB-4z4lA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 VAL A 655
LEU A 653
ILE A 678
VAL A 760
LEU A 787
 None
 1.12A 4y8wB-4zxiA:
undetectable		 4y8wB-4zxiA:
17.44
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 VAL A 422
LEU A 417
ILE A 452
GLY A 316
LEU A 323
 None
 1.12A 4y8wB-5affA:
undetectable		 4y8wB-5affA:
22.72
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		6 VAL A 663
LEU A 662
ASP A 763
ILE A 761
VAL A 822
LEU A 824
 None
 1.28A 4y8wB-5eawA:
undetectable		 4y8wB-5eawA:
19.36
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.
5ees 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Corynebacterium
glutamicum) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 SER A  25
VAL A  50
ASP A  27
ILE A   3
GLY A   2
 None
 0.84A 4y8wB-5eesA:
undetectable		 4y8wB-5eesA:
17.49
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.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		5 VAL A  68
LEU A  67
ARG A 116
ILE A 119
VAL A 415
 None
 1.06A 4y8wB-5gaiA:
undetectable		 4y8wB-5gaiA:
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.
5im4 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Candida
albicans) 		PF00885
(DMRL_synthase) 		5 SER A  61
VAL A  36
LEU A  35
ILE A  88
GLY A 124
 None
 0.98A 4y8wB-5im4A:
undetectable		 4y8wB-5im4A:
16.39
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		5 VAL A 244
ASP A 196
SER A 212
VAL A 298
LEU A  15
 None
 0.95A 4y8wB-5j5dA:
undetectable		 4y8wB-5j5dA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7u MAJOR CAPSID PROTEIN

(Faustovirus) 		PF04451
(Capsid_NCLDV) 		5 VAL A 424
ILE A 609
GLY A 449
VAL A 526
LEU A 568
 None
 1.03A 4y8wB-5j7uA:
undetectable		 4y8wB-5j7uA:
20.15
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.
5j7u MAJOR CAPSID PROTEIN

(Faustovirus) 		PF04451
(Capsid_NCLDV) 		5 VAL A 424
LEU A 608
GLY A 449
VAL A 526
LEU A 568
 None
 0.97A 4y8wB-5j7uA:
undetectable		 4y8wB-5j7uA:
20.15
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.
5jh5 LYSINE-SPECIFIC
DEMETHYLASE 2B

(Homo sapiens) 		PF00646
(F-box) 		5 SER A1255
LEU A1220
ASP A1227
ILE A1225
LEU A1259
 None
 1.12A 4y8wB-5jh5A:
undetectable		 4y8wB-5jh5A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lol GLUTATHIONE
S-TRANSFERASE DHAR2

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 VAL A 173
ILE A 102
GLY A  99
VAL A 142
LEU A 134
 None
 0.93A 4y8wB-5lolA:
undetectable		 4y8wB-5lolA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lon KLLA0E01827P

(Kluyveromyces
lactis) 		PF06058
(DCP1) 		5 VAL B 141
LEU B 178
ILE B 116
GLY B 100
LEU B  54
 None
 1.03A 4y8wB-5lonB:
undetectable		 4y8wB-5lonB:
15.11
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 LEU A 531
ILE A 559
GLY A 560
VAL A 690
LEU A 553
 None
 1.12A 4y8wB-5me3A:
undetectable		 4y8wB-5me3A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 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
RPN5

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		5 VAL P 393
VAL P 384
LEU P 383
ILE P 389
LEU P 369
 None
 1.06A 4y8wB-5mpdP:
undetectable		 4y8wB-5mpdP:
24.12
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 VAL A 725
LEU A 180
ILE A 179
GLY A 211
LEU A  41
 None
 1.08A 4y8wB-5mpmA:
0.0		 4y8wB-5mpmA:
11.70
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.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 5 ASP A 234
VAL A 151
LEU A 182
ASP A 170
ILE A 173
 None
 1.06A 4y8wB-5turA:
undetectable		 4y8wB-5turA:
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 6 VAL A 434
LEU A 423
ARG A 432
GLY A  21
VAL A 500
LEU A  12
 None
 1.47A 4y8wB-5u30A:
undetectable		 4y8wB-5u30A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		5 LEU A  91
ASP A  12
GLY A  86
VAL A 106
LEU A  62
 None
 1.04A 4y8wB-5u7wA:
undetectable		 4y8wB-5u7wA:
22.37
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		5 LEU F  91
ASP F  12
GLY F  86
VAL F 106
LEU F  62
 None
MN  F 503 ( 4.2A)
None
None
None
 1.02A 4y8wB-5u7xF:
undetectable		 4y8wB-5u7xF:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u81 ACID CERAMIDASE
ISOFORM B

(Heterocephalus
glaber) 		no annotation 5 LEU A 275
ILE A 249
GLY A 250
VAL A 256
LEU A 221
 None
None
None
PG4  A 418 ( 3.9A)
None
 1.11A 4y8wB-5u81A:
undetectable		 4y8wB-5u81A:
10.41
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.
5uve SUBSTRATE-BINDING
REGION OF ABC-TYPE
GLYCINE BETAINE
TRANSPORT SYSTEM

(Brucella
abortus) 		PF04069
(OpuAC) 		5 ASP A 277
VAL A 231
LEU A 229
ILE A 224
GLY A 223
 None
 1.11A 4y8wB-5uveA:
undetectable		 4y8wB-5uveA:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbu CYTOCHROME P450
21-HYDROXYLASE

(Homo sapiens) 		PF00067
(p450) 		12 VAL A 101
ASP A 107
SER A 109
VAL A 198
LEU A 199
TRP A 202
ARG A 234
ASP A 288
ILE A 291
GLY A 292
VAL A 360
LEU A 364
 3QZ  A 502 (-4.5A)
3QZ  A 502 ( 3.8A)
3QZ  A 502 ( 3.5A)
3QZ  A 502 (-4.6A)
3QZ  A 502 ( 4.7A)
3QZ  A 502 ( 3.9A)
3QZ  A 502 (-3.8A)
3QZ  A 502 (-4.0A)
3QZ  A 502 (-4.3A)
3QZ  A 502 ( 3.2A)
HEM  A 501 ( 4.3A)
3QZ  A 502 (-4.1A)
 0.32A 4y8wB-5vbuA:
63.5		 4y8wB-5vbuA:
100.00
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.
5vh6 ELONGATION FACTOR G

(Bacillus
subtilis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 VAL A  77
ILE A  13
GLY A 101
VAL A 284
LEU A 249
 None
 1.13A 4y8wB-5vh6A:
undetectable		 4y8wB-5vh6A:
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		5 VAL A  27
ILE A  48
GLY A  49
VAL A 743
LEU A   9
 None
 0.99A 4y8wB-5xblA:
undetectable		 4y8wB-5xblA:
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 5 LEU A 276
ASP A 330
ILE A 280
GLY A 285
LEU A 327
 None
 0.98A 4y8wB-5yemA:
undetectable		 4y8wB-5yemA:
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.
6az1 RIBOSOMAL PROTEIN S5

(Leishmania
donovani) 		no annotation 5 VAL F 151
ILE F 123
GLY F 124
VAL F  79
LEU F  88
 None
 1.06A 4y8wB-6az1F:
undetectable		 4y8wB-6az1F:
10.40
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 VAL A 104
LEU A 107
ILE A 119
GLY A 118
LEU A  57
 None
 1.09A 4y8wB-6fv4A:
undetectable		 4y8wB-6fv4A:
10.87