SIMILAR PATTERNS OF AMINO ACIDS FOR 4RET_A_DGXA1107_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bc5 CHEMOTAXIS RECEPTOR
METHYLTRANSFERASE

(Salmonella
enterica) 		PF01739
(CheR)
PF03705
(CheR_N) 		5 ALA A  88
GLU A 158
PHE A  85
LEU A  73
ARG A  29
 None
 1.20A 4retA-1bc5A:
undetectable		 4retA-1bc5A:
14.67
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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus) 		PF00704
(Glyco_hydro_18) 		5 ASP A 128
LEU A 167
PHE A 111
ALA A 173
LEU A  91
 ASP  A 128 ( 0.5A)
LEU  A 167 ( 0.5A)
PHE  A 111 ( 1.3A)
ALA  A 173 ( 0.0A)
LEU  A  91 ( 0.6A)
 1.19A 4retA-1c8xA:
undetectable		 4retA-1c8xA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cfz HYDROGENASE 2
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 ASP A  62
LEU A  97
LEU A  26
GLY A  41
ALA A  44
 CD  A 163 ( 2.4A)
None
None
None
None
 1.18A 4retA-1cfzA:
undetectable		 4retA-1cfzA:
10.09
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 ASP A 307
LEU A 138
PHE A  68
GLY A 116
GLU A 637
 GLC  A 997 (-3.6A)
None
None
GLC  A 997 (-4.8A)
GLC  A 998 (-3.6A)
 1.29A 4retA-1e4oA:
2.1		 4retA-1e4oA:
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.
1ftg APOFLAVODOXIN

(Nostoc sp. PCC
7119) 		PF00258
(Flavodoxin_1) 		5 GLU A  16
ALA A  84
GLU A 166
PHE A  86
LEU A 143
 None
 1.17A 4retA-1ftgA:
undetectable		 4retA-1ftgA:
10.90
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.
1ftg APOFLAVODOXIN

(Nostoc sp. PCC
7119) 		PF00258
(Flavodoxin_1) 		5 GLU A  20
ALA A  84
GLU A 166
PHE A  86
LEU A 143
 None
 1.14A 4retA-1ftgA:
undetectable		 4retA-1ftgA:
10.90
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.
1hup MANNOSE-BINDING
PROTEIN

(Homo sapiens) 		PF00059
(Lectin_C) 		5 GLN A 113
LEU A 106
GLU A 150
PHE A 119
GLY A 111
 None
 1.18A 4retA-1hupA:
undetectable		 4retA-1hupA:
10.26
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 LEU A 680
LEU A  22
GLY A  31
GLU A 679
LEU A 617
 None
 1.15A 4retA-1j1wA:
0.1		 4retA-1j1wA:
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 LEU A 307
LEU A 432
GLU A 303
PHE A 292
LEU A 318
 None
 1.10A 4retA-1jx2A:
2.5		 4retA-1jx2A:
22.36
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ASP A 225
GLU A 165
GLY A 221
ALA A 212
LEU A 229
 None
 1.29A 4retA-1k7hA:
3.3		 4retA-1k7hA:
18.82
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 LEU A 106
PHE A  13
ALA A  19
PHE A  89
LEU A  60
 None
 1.30A 4retA-1llaA:
2.3		 4retA-1llaA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mg7 EARLY SWITCH PROTEIN
XOL-1 2.2K SPLICE
FORM

(Caenorhabditis
elegans) 		PF09108
(Xol-1_N)
PF09109
(Xol-1_GHMP-like) 		5 LEU A 292
LEU A 347
PHE A 318
GLU A 295
LEU A 372
 None
 1.07A 4retA-1mg7A:
undetectable		 4retA-1mg7A:
17.45
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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 LEU A 361
GLU A 362
GLU A 265
PHE A 254
LEU A 144
 None
 1.14A 4retA-1s1fA:
undetectable		 4retA-1s1fA:
18.20
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.
1wlo SUFE PROTEIN

(Thermus
thermophilus) 		PF02657
(SufE) 		5 LEU A 119
GLU A  89
GLY A  80
ALA A  77
LEU A  10
 None
 1.17A 4retA-1wloA:
undetectable		 4retA-1wloA:
9.22
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		5 GLN A 257
LEU A  60
PHE A  84
GLY A  85
ALA A  89
 None
 1.25A 4retA-1x0aA:
undetectable		 4retA-1x0aA:
16.24
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.
2aky ADENYLATE KINASE

(Saccharomyces
cerevisiae) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 LEU A  33
GLY A  85
ALA A  81
GLU A  75
ARG A  27
 None
 1.27A 4retA-2akyA:
2.4		 4retA-2akyA:
12.87
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.
2bt7 SIGMA C

(Avian
orthoreovirus) 		PF04582
(Reo_sigmaC) 		5 ASP A 325
LEU A 250
PHE A 301
ALA A 272
PHE A 274
 None
 0.98A 4retA-2bt7A:
undetectable		 4retA-2bt7A:
9.86
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.
2dhr FTSH

(Thermus
thermophilus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 LEU A 312
GLU A 455
GLY A 448
GLU A 419
ARG A 503
 None
 1.23A 4retA-2dhrA:
undetectable		 4retA-2dhrA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dy0 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 LEU A 123
GLU A  64
PHE A  68
GLY A  71
ALA A  75
 None
 1.07A 4retA-2dy0A:
undetectable		 4retA-2dy0A:
11.15
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.
2dy0 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 LEU A 123
GLU A  64
PHE A  68
GLY A  71
PHE A  82
 None
 0.80A 4retA-2dy0A:
undetectable		 4retA-2dy0A:
11.15
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 ASP A 124
LEU A 123
GLY A 181
PHE A 226
LEU A 197
 SAM  A 400 ( 4.8A)
None
SAM  A 400 (-3.6A)
SAM  A 400 (-4.9A)
None
 1.05A 4retA-2f8lA:
undetectable		 4retA-2f8lA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fjk FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Thermus
caldophilus) 		PF01116
(F_bP_aldolase) 		5 GLU A 297
GLY A  20
GLU A 130
PHE A  22
LEU A 256
 None
 1.25A 4retA-2fjkA:
undetectable		 4retA-2fjkA:
16.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLN A 239
LEU A 456
GLU A 238
ALA A 436
PHE A 484
 None
 1.30A 4retA-2h2qA:
undetectable		 4retA-2h2qA:
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.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		5 GLN A 298
GLY A 293
ALA A 289
PHE A  83
LEU A  63
 None
 1.25A 4retA-2i4cA:
undetectable		 4retA-2i4cA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ic7 MALTOSE
TRANSACETYLASE

(Geobacillus
kaustophilus) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		5 ASP A  91
LEU A  90
GLY A  87
PHE A  67
LEU A  53
 None
 1.25A 4retA-2ic7A:
undetectable		 4retA-2ic7A:
11.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kat UNCHARACTERIZED
PROTEIN

(Bordetella
parapertussis) 		PF13428
(TPR_14) 		5 LEU A  99
GLU A  33
PHE A  35
GLY A  60
ALA A  75
 None
 1.24A 4retA-2katA:
3.9		 4retA-2katA:
7.15
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.
2p2v ALPHA-2,3-SIALYLTRAN
SFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 LEU A 225
GLU A 172
GLY A 167
ALA A  22
LEU A 211
 None
 1.17A 4retA-2p2vA:
undetectable		 4retA-2p2vA:
13.96
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.
2r17 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 35

(Homo sapiens) 		PF03635
(Vps35) 		5 LEU C 579
PHE C 584
GLY C 587
ALA C 591
PHE C 606
 None
 1.12A 4retA-2r17C:
undetectable		 4retA-2r17C:
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.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ASP A 141
GLU A  60
PHE A  64
GLY A  67
ALA A 152
 None
 1.24A 4retA-2tddA:
undetectable		 4retA-2tddA:
14.62
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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 251
ALA A  39
GLU A 259
LEU A  51
ARG A  58
 None
 1.24A 4retA-2v6bA:
undetectable		 4retA-2v6bA:
14.79
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.
2vrs SIGMA-C CAPSID
PROTEIN

(Avian
orthoreovirus) 		PF04582
(Reo_sigmaC) 		5 ASP A 325
LEU A 250
PHE A 301
ALA A 272
PHE A 274
 None
 1.00A 4retA-2vrsA:
undetectable		 4retA-2vrsA:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 LEU A 130
GLU A  84
ALA A  60
PHE A  57
LEU A 103
 None
 1.15A 4retA-2zy2A:
undetectable		 4retA-2zy2A:
19.83
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.
3a55 PROTEIN-GLUTAMINASE

(Chryseobacterium
proteolyticum) 		no annotation 5 GLN A  48
LEU A  45
GLY A 155
ALA A 158
PHE A 280
 None
 1.21A 4retA-3a55A:
undetectable		 4retA-3a55A:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 LEU A 658
LEU A 630
GLU A 632
ALA A 720
LEU A 734
 None
 1.20A 4retA-3aflA:
2.9		 4retA-3aflA:
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ASP A 131
LEU A 155
LEU A  69
GLY A 135
ALA A  18
 5GP  A 500 (-3.1A)
None
None
None
None
 1.23A 4retA-3b89A:
2.2		 4retA-3b89A:
14.05
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.
3bc8 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Mus musculus) 		PF05889
(SepSecS) 		5 GLN A 280
LEU A 123
GLY A 297
ALA A 135
PHE A 298
 None
 1.27A 4retA-3bc8A:
undetectable		 4retA-3bc8A:
18.13
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.
3bdz P450CIN

(Citrobacter
braakii) 		PF00067
(p450) 		5 ASP A 208
LEU A 159
LEU A 348
PHE A 231
ALA A 194
 None
None
HEM  A 450 (-4.1A)
None
None
 1.24A 4retA-3bdzA:
undetectable		 4retA-3bdzA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A 456
PHE A 424
GLY A 357
ALA A 355
LEU A 394
 None
 1.22A 4retA-3cmmA:
4.0		 4retA-3cmmA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 GLN A 274
LEU A 457
GLY A 268
ALA A 302
ARG A 215
 None
 1.25A 4retA-3dwcA:
4.0		 4retA-3dwcA:
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.
3e74 ALLANTOINASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 ASP A 385
LEU A 427
LEU A  14
GLU A  15
GLY A  54
 None
 1.23A 4retA-3e74A:
undetectable		 4retA-3e74A:
20.19
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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ASP A 280
LEU A 279
PHE A 340
GLY A 536
ARG A 478
 None
 1.24A 4retA-3eb7A:
3.7		 4retA-3eb7A:
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.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Mus musculus;
Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		5 LEU A 362
LEU A  98
GLU A  95
GLY A 201
ALA A 232
 None
 1.20A 4retA-3errA:
3.0		 4retA-3errA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euj CHROMOSOME PARTITION
PROTEIN MUKB, LINKER

([Haemophilus]
ducreyi) 		PF04310
(MukB)
PF13558
(SbcCD_C) 		5 LEU A  41
LEU A 178
GLY A 134
ALA A  81
LEU A 112
 None
 1.29A 4retA-3eujA:
undetectable		 4retA-3eujA:
19.03
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		5 LEU A 130
GLU A  84
ALA A  60
PHE A  57
LEU A 103
 None
 1.15A 4retA-3fddA:
3.2		 4retA-3fddA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A  19
GLU A 245
GLY A 115
ALA A 143
LEU A 122
 None
FAD  A 301 ( 4.3A)
None
None
None
 1.19A 4retA-3fpkA:
undetectable		 4retA-3fpkA:
13.31
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.
3g5b NETRIN RECEPTOR
UNC5B

(Rattus
norvegicus) 		PF00531
(Death)
PF00791
(ZU5)
PF17217
(UPA) 		5 LEU A 907
GLU A 911
GLY A 570
LEU A 565
ARG A 555
 None
 1.22A 4retA-3g5bA:
undetectable		 4retA-3g5bA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
PPI1

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		5 LEU d  32
PHE d  43
GLY d  55
PHE d 102
LEU d  88
 None
 1.19A 4retA-3jb9d:
undetectable		 4retA-3jb9d:
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.
3jrn AT1G72930 PROTEIN

(Arabidopsis
thaliana) 		PF01582
(TIR) 		5 ASP A  82
LEU A  81
GLU A  61
PHE A  90
ALA A 139
 None
 1.21A 4retA-3jrnA:
3.9		 4retA-3jrnA:
11.90
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.
3kfu NON-DISCRIMINATING
AND ARCHAEAL-TYPE
ASPARTYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 270
GLU A 293
GLY A 300
ALA A 303
ARG A 396
 None
 1.16A 4retA-3kfuA:
undetectable		 4retA-3kfuA:
18.69
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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A  61
GLU A 110
PHE A 126
ALA A 163
ARG A 403
 None
 1.16A 4retA-3l84A:
3.0		 4retA-3l84A:
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.
3m1t PUTATIVE
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		5 LEU A 194
PHE A 110
GLY A 134
ALA A 130
PHE A 131
 None
 1.27A 4retA-3m1tA:
undetectable		 4retA-3m1tA:
14.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		8 ASP A 121
LEU A 125
PHE A 316
GLY A 319
ALA A 323
GLU A 327
PHE A 783
LEU A 793
 OBN  A   1 (-3.4A)
None
None
OBN  A   1 ( 4.8A)
OBN  A   1 (-3.2A)
None
OBN  A   1 (-3.5A)
None
 0.92A 4retA-3n23A:
58.1		 4retA-3n23A:
97.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		9 LEU A 125
GLU A 312
PHE A 316
GLY A 319
ALA A 323
GLU A 327
PHE A 783
LEU A 793
ARG A 880
 None
None
None
OBN  A   1 ( 4.8A)
OBN  A   1 (-3.2A)
None
OBN  A   1 (-3.5A)
None
OBN  A   1 (-3.7A)
 0.94A 4retA-3n23A:
58.1		 4retA-3n23A:
97.16
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 LEU B 464
LEU B 315
GLY B 461
ALA B 436
LEU B 354
 None
 1.04A 4retA-3ohmB:
undetectable		 4retA-3ohmB:
22.09
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.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 ASP A 231
LEU A 328
GLU A 327
GLY A 324
ALA A 322
 None
 1.07A 4retA-3om5A:
undetectable		 4retA-3om5A:
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.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		5 LEU A 102
LEU A 264
GLY A 251
ALA A 217
LEU A 174
 None
 1.21A 4retA-3orgA:
undetectable		 4retA-3orgA:
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 GLN A 102
GLY A 166
ALA A 195
GLU A 171
ARG A 185
 None
 1.20A 4retA-3paoA:
undetectable		 4retA-3paoA:
17.92
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 LEU L 389
LEU L 291
GLY L 395
PHE L 341
LEU L 345
 None
 1.24A 4retA-3rkoL:
2.4		 4retA-3rkoL:
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.
3sf6 GLUTARYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASP A  17
LEU A 313
PHE A 263
GLY A 267
ALA A  99
 EDO  A 413 (-2.9A)
None
None
None
None
 1.29A 4retA-3sf6A:
2.4		 4retA-3sf6A:
17.26
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.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 298
LEU A 344
GLY A 425
ALA A 165
PHE A 179
 None
 1.28A 4retA-4bi9A:
undetectable		 4retA-4bi9A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ASP A 159
LEU A 129
LEU A 168
PHE A 153
GLY A   8
 None
 1.21A 4retA-4e3aA:
1.8		 4retA-4e3aA:
16.16
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 LEU A 204
LEU A 213
GLY A 364
ALA A 362
LEU A 237
 None
 1.24A 4retA-4iheA:
undetectable		 4retA-4iheA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 5 GLN A  81
ASP A 256
LEU A 257
GLU A  83
GLY A  88
 None
 1.29A 4retA-4jw1A:
3.0		 4retA-4jw1A:
19.22
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.
4k0r CRYPTOCHROME-1

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ASP A  61
LEU A  62
LEU A 386
GLY A 258
LEU A 218
 None
 1.25A 4retA-4k0rA:
undetectable		 4retA-4k0rA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kjr CATION EXCHANGER
YFKE

(Bacillus
subtilis) 		PF01699
(Na_Ca_ex) 		5 GLN A 281
LEU A  73
GLU A  72
ALA A 259
LEU A 100
 None
 1.24A 4retA-4kjrA:
3.8		 4retA-4kjrA:
15.52
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.
4kt1 R-SPONDIN-1

(Homo sapiens) 		PF15913
(Furin-like_2) 		5 ASP E  85
LEU E  64
GLU E  65
GLY E  82
ALA E 104
 None
 1.18A 4retA-4kt1E:
undetectable		 4retA-4kt1E:
6.35
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.
4n0p PILUS ASSEMBLY
PROTEIN CPAE

(Caulobacter
vibrioides) 		no annotation 5 ASP A 185
LEU A 193
GLU A 137
GLY A 162
ALA A 165
 None
 1.08A 4retA-4n0pA:
2.4		 4retA-4n0pA:
9.83
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.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 354
GLU A 433
ALA A 413
PHE A 381
ARG A 429
 None
 1.28A 4retA-4nbqA:
undetectable		 4retA-4nbqA:
21.65
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A6197
GLU A6452
GLY A6342
GLU A6200
PHE A6132
 None
 1.29A 4retA-4opfA:
undetectable		 4retA-4opfA:
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.
4pev MEMBRANE LIPOPROTEIN
FAMILY PROTEIN

(Aeropyrum
pernix) 		PF02608
(Bmp) 		5 LEU A 356
GLU A 186
GLY A 192
ALA A 196
LEU A 441
 None
 1.27A 4retA-4pevA:
undetectable		 4retA-4pevA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 LEU B 464
LEU B 315
GLY B 461
ALA B 436
LEU B 354
 None
 1.24A 4retA-4qj4B:
undetectable		 4retA-4qj4B:
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		5 GLN A 205
LEU A 137
GLY A 210
LEU A 286
ARG A 288
 None
 1.29A 4retA-4qnyA:
undetectable		 4retA-4qnyA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 156
LEU A 155
GLU A 237
PHE A 233
LEU A 126
 CA  A 601 (-2.3A)
None
None
None
None
 1.11A 4retA-4r1dA:
2.0		 4retA-4r1dA:
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.
4rxv HYPOTHETICAL PROTEIN
LPG0944

(Legionella
pneumophila) 		no annotation 5 ASP A  24
PHE A  20
GLY A 175
ALA A 173
PHE A 104
 None
 1.06A 4retA-4rxvA:
undetectable		 4retA-4rxvA:
11.61
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ASP A  79
LEU A  80
LEU A 404
GLY A 276
LEU A 236
 None
 1.19A 4retA-4u8hA:
undetectable		 4retA-4u8hA:
18.72
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		5 LEU A 279
GLU A 294
ALA A 303
GLU A 498
LEU A 130
 None
 1.19A 4retA-4wmjA:
undetectable		 4retA-4wmjA:
22.29
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.
4wnr LEUCINE-RICH-REPEAT
PROTEIN

(Methanosarcina
barkeri) 		PF08477
(Roc)
PF16095
(COR) 		5 LEU A 429
LEU A 477
GLY A 454
GLU A 439
LEU A 413
 None
None
None
SO4  A 704 ( 4.4A)
None
 1.09A 4retA-4wnrA:
undetectable		 4retA-4wnrA:
16.18
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.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 GLU A  98
GLY A 361
ALA A 337
PHE A 351
LEU A 106
 None
 1.18A 4retA-4zpjA:
undetectable		 4retA-4zpjA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 GLU A 319
PHE A 323
GLY A 326
ALA A 330
GLU A 334
 None
None
None
None
K  A2005 ( 3.5A)
 1.05A 4retA-5aw4A:
52.9		 4retA-5aw4A:
87.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 LEU A 800
GLU A 915
GLY A 865
ALA A 991
LEU A 983
 None
 1.30A 4retA-5aw4A:
52.9		 4retA-5aw4A:
87.45
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.
5b6h ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
pseudotuberculosis) 		PF00156
(Pribosyltran) 		5 LEU A 127
GLU A  68
PHE A  72
GLY A  75
ALA A  79
 None
 1.08A 4retA-5b6hA:
undetectable		 4retA-5b6hA:
12.27
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.
5b6h ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
pseudotuberculosis) 		PF00156
(Pribosyltran) 		5 LEU A 127
GLU A  68
PHE A  72
GLY A  75
PHE A  86
 None
 0.80A 4retA-5b6hA:
undetectable		 4retA-5b6hA:
12.27
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.
5d8g TRYPTOPHANASE

(Escherichia
coli) 		PF01212
(Beta_elim_lyase) 		5 LEU A 452
LEU A 461
PHE A  39
LEU A 418
ARG A 419
 None
None
None
None
EPE  A1003 (-2.9A)
 1.19A 4retA-5d8gA:
2.9		 4retA-5d8gA:
18.95
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.
5f1m PHOSPHORYLATED
PROTEIN PHOSPHATASE

(Staphylococcus
aureus) 		PF13672
(PP2C_2) 		5 GLU A 216
PHE A   7
ALA A 226
PHE A 237
LEU A 190
 None
 1.23A 4retA-5f1mA:
undetectable		 4retA-5f1mA:
13.60
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.
5gp9 TRANSCRIPTIONAL
REGULATOR (TETR/ACRR
FAMILY)

(Bacillus
halodurans) 		PF00440
(TetR_N)
PF08359
(TetR_C_4) 		5 ASP A  79
LEU A 130
GLY A 138
PHE A 144
LEU A 189
 None
 1.20A 4retA-5gp9A:
2.5		 4retA-5gp9A:
11.19
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.
5h53 SKELETAL MUSCLE
MYOSIN HEAVY CHAIN
MYHC-EO/IIL

(Oryctolagus
cuniculus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 LEU A 498
PHE A 496
GLY A 516
ALA A 520
GLU A 527
 None
 1.23A 4retA-5h53A:
undetectable		 4retA-5h53A:
22.86
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.
5hu4 CYSTEINE PROTEASE

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 LEU A  82
GLU A  83
GLY A  47
ALA A 110
GLU A 132
 None
 1.15A 4retA-5hu4A:
undetectable		 4retA-5hu4A:
8.92
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLN A 526
LEU A 565
LEU A 356
GLY A 560
ALA A 558
 None
 1.28A 4retA-5i51A:
2.0		 4retA-5i51A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5in8 ARISTOLOCHENE
SYNTHASE

(Aspergillus
terreus) 		no annotation 5 ASP A 202
PHE A  62
GLY A 291
ALA A 287
GLU A 281
 None
 1.17A 4retA-5in8A:
undetectable		 4retA-5in8A:
14.40
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 LEU A 109
LEU A 448
PHE A 441
GLY A 439
LEU A  11
 None
 1.26A 4retA-5kkgA:
2.5		 4retA-5kkgA:
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 LEU A 399
PHE A 543
GLU A 213
PHE A 561
LEU A 386
 None
 1.27A 4retA-5ng6A:
undetectable		 4retA-5ng6A:
22.06
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.
5nmp ISATIN HYDROLASE

(Ralstonia
solanacearum) 		no annotation 5 ASP A 200
LEU A 228
GLU A 195
ALA A 179
GLU A 181
 None
 1.24A 4retA-5nmpA:
undetectable		 4retA-5nmpA:
7.03
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A  48
GLU A 345
PHE A 159
GLY A 160
LEU A 868
 None
 1.18A 4retA-5um6A:
4.0		 4retA-5um6A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 LEU A  41
GLY A 105
ALA A 102
LEU A 114
ARG A 113
 None
 1.25A 4retA-5xoyA:
undetectable		 4retA-5xoyA:
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.
5yw5 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		no annotation 6 LEU A 120
GLU A  61
PHE A  65
GLY A  68
ALA A  72
PHE A  79
 None
 0.98A 4retA-5yw5A:
undetectable		 4retA-5yw5A:
6.68
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.
6a91 -

(-) 		no annotation 5 LEU A1345
LEU A1055
GLY A1357
ALA A1329
ARG A1384
 None
PC1  A1609 ( 4.3A)
None
None
PC1  A1609 (-3.1A)
 1.18A 4retA-6a91A:
undetectable		 4retA-6a91A:
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.
6az0 MITOCHONDRIAL INNER
MEMBRANE I-AAA
PROTEASE
SUPERCOMPLEX SUBUNIT
YME1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 365
GLY A 316
GLU A 292
PHE A 439
LEU A 429
 None
 1.30A 4retA-6az0A:
2.1		 4retA-6az0A:
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 GLN A 506
LEU A 557
LEU A 527
GLU A 567
PHE A 237
 None
 1.18A 4retA-6azpA:
undetectable		 4retA-6azpA:
6.25
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY

(Thermobifida
fusca) 		no annotation 5 LEU M  27
GLY M  37
ALA M  40
GLU M 121
PHE M 207
 None
U  J   2 ( 3.3A)
A  J   1 ( 4.0A)
None
U  J   2 ( 4.1A)
 1.25A 4retA-6c66M:
undetectable		 4retA-6c66M:
6.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fai ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU i 311
GLY i 339
ALA i 343
PHE i 371
LEU i 359
 None
None
G  21267 ( 3.2A)
None
None
 1.18A 4retA-6faii:
undetectable		 4retA-6faii:
5.99