SIMILAR PATTERNS OF AMINO ACIDS FOR 4RET_C_DGXC2005_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
 1.19A 4retC-1bc5A:
undetectable		 4retC-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.
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 4retC-1cfzA:
undetectable		 4retC-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.
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 4retC-1ftgA:
undetectable		 4retC-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 4retC-1ftgA:
undetectable		 4retC-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.
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 4retC-1j1wA:
0.0		 4retC-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 4retC-1jx2A:
2.2		 4retC-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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		5 GLU A 216
LEU A 366
GLY A  20
PHE A  23
LEU A  54
 None
 1.20A 4retC-1k1xA:
0.6		 4retC-1k1xA:
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.
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
 1.28A 4retC-1k7hA:
0.0		 4retC-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.
1og6 HYPOTHETICAL
OXIDOREDUCTASE YDHF

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 GLU A 138
ASP A 102
GLY A  85
ALA A  87
LEU A 133
 None
 1.13A 4retC-1og6A:
undetectable		 4retC-1og6A:
14.89
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.
1og6 HYPOTHETICAL
OXIDOREDUCTASE YDHF

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 GLU A 138
ASP A 102
LEU A 168
GLY A  85
ALA A  87
 None
 1.26A 4retC-1og6A:
undetectable		 4retC-1og6A:
14.89
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.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		5 LEU A  98
GLY A 251
ALA A 247
PHE A 248
ARG A  22
 None
 1.30A 4retC-1r1nA:
0.0		 4retC-1r1nA:
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.
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 4retC-1s1fA:
undetectable		 4retC-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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 GLU A  74
LEU A  80
LEU A  99
ALA A 285
LEU A  11
 None
None
None
FMN  A 501 (-2.9A)
None
 1.23A 4retC-1vcgA:
undetectable		 4retC-1vcgA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4retC-1wloA:
undetectable		 4retC-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.
1xmx HYPOTHETICAL PROTEIN
VC1899

(Vibrio cholerae) 		PF09002
(DUF1887) 		5 GLU A 250
LEU A 186
LEU A 164
GLY A 172
ALA A 176
 None
 1.09A 4retC-1xmxA:
5.4		 4retC-1xmxA:
15.57
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.
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 4retC-2akyA:
2.4		 4retC-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.
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 4retC-2dhrA:
undetectable		 4retC-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.
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 4retC-2f8lA:
2.6		 4retC-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 4retC-2fjkA:
undetectable		 4retC-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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLU A 330
LEU A 218
GLY A 314
ALA A 182
ARG A 104
 None
 1.21A 4retC-2glxA:
5.1		 4retC-2glxA:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4retC-2h2qA:
undetectable		 4retC-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 4retC-2i4cA:
undetectable		 4retC-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 4retC-2ic7A:
undetectable		 4retC-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.
2khz C-MYC-RESPONSIVE
PROTEIN RCL

(Rattus
norvegicus) 		PF05014
(Nuc_deoxyrib_tr) 		5 GLU A  44
GLU A  50
GLY A  16
ALA A  81
PHE A  14
 None
 1.21A 4retC-2khzA:
2.5		 4retC-2khzA:
10.52
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.
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 4retC-2p2vA:
undetectable		 4retC-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.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 159
LEU A 357
LEU A 141
GLY A 328
ALA A 306
 None
 1.29A 4retC-2qdeA:
undetectable		 4retC-2qdeA:
16.54
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLU A 602
ASP A 599
LEU A 616
ALA A 982
PHE A 979
 None
 1.06A 4retC-2qf7A:
2.9		 4retC-2qf7A:
22.65
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.
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 4retC-2v6bA:
undetectable		 4retC-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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		5 GLU A 486
LEU A  66
LEU A 536
GLY A  36
ALA A  20
 None
 1.22A 4retC-2v8jA:
undetectable		 4retC-2v8jA:
19.55
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 GLU A  73
LEU A  50
LEU A 269
ALA A 125
ARG A 113
 None
 1.18A 4retC-2zwvA:
undetectable		 4retC-2zwvA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4retC-2zy2A:
undetectable		 4retC-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 4retC-3a55A:
undetectable		 4retC-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 4retC-3aflA:
undetectable		 4retC-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 4retC-3b89A:
2.2		 4retC-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
 1.26A 4retC-3bc8A:
undetectable		 4retC-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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 GLU A 323
ASP A 305
GLU A 301
GLY A 284
ALA A 318
 CA  A 701 (-3.3A)
CA  A 701 ( 3.0A)
None
None
None
 1.22A 4retC-3bc9A:
undetectable		 4retC-3bc9A:
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.
3cx7 GLUTAMATE
TRANSPORTER
ASSOCIATED PROTEIN
48

(Rattus
norvegicus) 		PF09128
(RGS-like) 		5 GLN B 470
GLU B 463
LEU B 454
LEU B 474
PHE B 328
 None
 1.30A 4retC-3cx7B:
undetectable		 4retC-3cx7B:
11.76
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.
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 4retC-3dwcA:
3.3		 4retC-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 4retC-3e74A:
undetectable		 4retC-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.
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 4retC-3errA:
3.0		 4retC-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 4retC-3eujA:
undetectable		 4retC-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.
3ezy DEHYDROGENASE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLU A  92
LEU A 116
GLY A 307
PHE A 120
ARG A 122
 None
 1.27A 4retC-3ezyA:
undetectable		 4retC-3ezyA:
16.62
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.
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
 1.16A 4retC-3fddA:
undetectable		 4retC-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
 1.20A 4retC-3fpkA:
undetectable		 4retC-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
 1.21A 4retC-3g5bA:
undetectable		 4retC-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.
3gmw BETA-LACTAMASE
INHIBITORY PROTEIN
BLIP-I

(Streptomyces
exfoliatus) 		PF07467
(BLIP) 		5 GLN B  11
GLU B   7
GLY B  25
ALA B  30
PHE B   4
 None
 1.26A 4retC-3gmwB:
undetectable		 4retC-3gmwB:
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.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 341
LEU A 359
GLY A 306
ALA A 308
LEU A 368
 None
 1.07A 4retC-3i6eA:
undetectable		 4retC-3i6eA:
18.34
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.
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 4retC-3kfuA:
undetectable		 4retC-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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 GLU A 283
GLU A  47
GLY A 289
ALA A 292
GLU A 266
 PLP  A 350 ( 3.8A)
None
None
None
None
 1.17A 4retC-3l6cA:
1.8		 4retC-3l6cA:
16.70
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.
3myb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 GLU A  31
LEU A  68
LEU A   5
GLY A  65
ALA A 111
 None
None
None
None
GOL  A 300 (-3.6A)
 1.30A 4retC-3mybA:
undetectable		 4retC-3mybA:
14.70
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) 		7 ASP A 121
LEU A 125
GLY A 319
ALA A 323
GLU A 327
PHE A 783
LEU A 793
 OBN  A   1 (-3.4A)
None
OBN  A   1 ( 4.8A)
OBN  A   1 (-3.2A)
None
OBN  A   1 (-3.5A)
None
 0.96A 4retC-3n23A:
52.4		 4retC-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) 		8 LEU A 125
GLU A 312
GLY A 319
ALA A 323
GLU A 327
PHE A 783
LEU A 793
ARG A 880
 None
None
OBN  A   1 ( 4.8A)
OBN  A   1 (-3.2A)
None
OBN  A   1 (-3.5A)
None
OBN  A   1 (-3.7A)
 0.97A 4retC-3n23A:
52.4		 4retC-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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT
PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Roseobacter
denitrificans;
Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 643
GLU B  76
LEU A 646
GLU A 645
ALA A 530
 None
 1.28A 4retC-3n6rA:
undetectable		 4retC-3n6rA:
22.21
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.
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 4retC-3ohmB:
undetectable		 4retC-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 4retC-3om5A:
undetectable		 4retC-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 4retC-3orgA:
undetectable		 4retC-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 4retC-3paoA:
undetectable		 4retC-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 4retC-3rkoL:
undetectable		 4retC-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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 GLU A 424
LEU A 416
LEU A 397
ALA A 437
PHE A 453
 None
 1.30A 4retC-4bb9A:
4.8		 4retC-4bb9A:
21.87
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.
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 4retC-4bi9A:
undetectable		 4retC-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.
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLU A 318
LEU A 375
GLY A 355
ALA A 353
GLU A 116
 None
 1.30A 4retC-4e1lA:
undetectable		 4retC-4e1lA:
18.70
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 GLU A 136
LEU A 128
GLU A 140
GLY A 152
ARG A  69
 None
 1.16A 4retC-4hkmA:
undetectable		 4retC-4hkmA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkt INOSITOL
2-DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLU A  92
LEU A 116
GLY A 307
PHE A 120
ARG A 122
 None
GOL  A 413 (-4.0A)
None
None
None
 1.27A 4retC-4hktA:
undetectable		 4retC-4hktA:
16.38
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.
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 4retC-4iheA:
undetectable		 4retC-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.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Influenza A
virus;
Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		5 LEU A 322
LEU A 303
GLY A 344
GLU A 354
PHE A 362
 None
 1.31A 4retC-4iq4A:
2.2		 4retC-4iq4A:
18.10
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.
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 4retC-4jw1A:
undetectable		 4retC-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
 1.24A 4retC-4k0rA:
undetectable		 4retC-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 4retC-4kjrA:
undetectable		 4retC-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 4retC-4kt1E:
undetectable		 4retC-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 4retC-4n0pA:
2.0		 4retC-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 4retC-4nbqA:
undetectable		 4retC-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 4retC-4opfA:
undetectable		 4retC-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
 1.26A 4retC-4pevA:
undetectable		 4retC-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 4retC-4qj4B:
undetectable		 4retC-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 4retC-4qnyA:
undetectable		 4retC-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.
4qok MEL5 TCR CHAIN BETA

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU E  21
LEU E 103
GLY E 108
ALA E   9
PHE E  88
 None
 1.31A 4retC-4qokE:
undetectable		 4retC-4qokE:
12.17
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.
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 4retC-4u8hA:
undetectable		 4retC-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 4retC-4wmjA:
undetectable		 4retC-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 4retC-4wnrA:
undetectable		 4retC-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 4retC-4zpjA:
undetectable		 4retC-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 LEU A 800
GLU A 915
GLY A 865
ALA A 991
LEU A 983
 None
 1.29A 4retC-5aw4A:
47.8		 4retC-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.
5f38 ACETYL-COA
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLU B 318
LEU B 375
GLY B 355
ALA B 353
GLU B 116
 None
None
CSX  B  88 ( 4.3A)
None
None
 1.29A 4retC-5f38B:
undetectable		 4retC-5f38B:
17.82
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.
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 4retC-5gp9A:
undetectable		 4retC-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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 GLU A 108
LEU A  87
LEU A 224
GLY A  52
PHE A  53
 None
 1.29A 4retC-5gw7A:
undetectable		 4retC-5gw7A:
23.05
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.
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 4retC-5hu4A:
undetectable		 4retC-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 4retC-5i51A:
undetectable		 4retC-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.
5k8b 8-AMINO-3,8-DIDEOXY-
ALPHA-D-MANNO-OCTULO
SONATE TRANSAMINASE

(Shewanella
oneidensis) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLN A 258
GLY A 164
ALA A 170
GLU A 156
LEU A 248
 None
 1.31A 4retC-5k8bA:
undetectable		 4retC-5k8bA:
17.36
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 GLU B 218
LEU B 636
GLY B 565
ALA B 298
ARG B 212
 None
 1.20A 4retC-5mrwB:
10.2		 4retC-5mrwB:
24.15
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.
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 4retC-5nmpA:
undetectable		 4retC-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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 GLU A 889
LEU A 904
GLU A 919
GLU A 903
LEU A 843
 None
 1.01A 4retC-5ve8A:
undetectable		 4retC-5ve8A:
22.23
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 5 GLU A  48
ASP A  49
GLU A  40
GLY A  15
GLU A 218
 None
 1.19A 4retC-5x8hA:
3.3		 4retC-5x8hA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 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 4retC-5xoyA:
undetectable		 4retC-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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 GLU C1760
LEU C1939
LEU C1752
GLU C1993
PHE C1900
 None
 1.19A 4retC-5y3rC:
undetectable		 4retC-5y3rC:
13.21
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.
5yw5 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		no annotation 5 LEU A 120
GLU A  61
GLY A  68
ALA A  72
PHE A  79
 None
 1.01A 4retC-5yw5A:
undetectable		 4retC-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 4retC-6a91A:
2.9		 4retC-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 4retC-6az0A:
undetectable		 4retC-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 4retC-6azpA:
undetectable		 4retC-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 4retC-6c66M:
undetectable		 4retC-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.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 5 GLU A 281
ASP A 284
LEU A 286
GLU A 154
GLY A 158
 None
 1.16A 4retC-6dchA:
undetectable		 4retC-6dchA:
6.60
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.
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
 1.17A 4retC-6faii:
undetectable		 4retC-6faii:
5.99