SIMILAR PATTERNS OF AMINO ACIDS FOR 3S3M_A_DLUA398_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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		4 ASP A  34
GLY A  16
PRO A 147
ARG A 143
 None
 0.87A 3s3mA-1bg6A:
undetectable		 3s3mA-1bg6A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dzt DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Salmonella
enterica) 		PF00908
(dTDP_sugar_isom) 		4 ASP A  84
GLY A 121
TYR A 133
GLN A 111
 None
None
SO4  A 301 (-3.8A)
None
 1.03A 3s3mA-1dztA:
undetectable		 3s3mA-1dztA:
17.79
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.
1e6b GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		4 ASP A  45
GLY A  44
TYR A  14
PRO A  38
 None
 1.01A 3s3mA-1e6bA:
undetectable		 3s3mA-1e6bA:
18.50
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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		4 ASP A 101
GLY A  75
GLU A 133
ARG A 123
 None
 0.92A 3s3mA-1f2dA:
undetectable		 3s3mA-1f2dA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ASP A 316
GLY A 319
GLU A 179
ARG A 111
 CA  A 751 (-3.3A)
None
CA  A 751 (-2.6A)
PQQ  A 701 (-3.3A)
 0.86A 3s3mA-1flgA:
undetectable		 3s3mA-1flgA:
20.68
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.
1g0i INOSITOL
MONOPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF00459
(Inositol_P) 		5 ASP A  81
ASP A  84
GLY A 176
GLU A  65
ARG A 194
 MN  A 291 (-2.4A)
MN  A 290 ( 3.3A)
None
MN  A 291 (-2.1A)
None
 1.45A 3s3mA-1g0iA:
undetectable		 3s3mA-1g0iA:
20.30
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 GLY A 583
PRO A 587
GLN A 591
GLU A  13
 NAP  A1000 (-4.8A)
NAP  A1000 (-4.6A)
None
NAP  A1000 ( 4.7A)
 0.89A 3s3mA-1j1wA:
undetectable		 3s3mA-1j1wA:
20.03
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 GLY A 169
TYR A 266
PRO A 128
GLU A 129
 None
 1.03A 3s3mA-1k1xA:
undetectable		 3s3mA-1k1xA:
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.
1k27 5'-DEOXY-5'-METHYLTH
IOADENOSINE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		4 ASP A 111
GLY A 167
PRO A 143
GLU A 142
 None
 1.01A 3s3mA-1k27A:
undetectable		 3s3mA-1k27A:
21.45
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.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		4 ASP A 319
GLY A 321
PRO A 317
ARG A 202
 None
 0.97A 3s3mA-1ka0A:
undetectable		 3s3mA-1ka0A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ASP A 303
GLY A 306
GLU A 177
ARG A 109
 CA  A 702 (-3.4A)
None
CA  A 702 ( 2.1A)
PQQ  A 701 (-3.5A)
 0.95A 3s3mA-1lrwA:
undetectable		 3s3mA-1lrwA:
21.22
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 ASP A 136
GLY A  77
PRO A 142
GLN A 186
 None
 1.05A 3s3mA-1mb9A:
undetectable		 3s3mA-1mb9A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1npe NIDOGEN

(Mus musculus) 		PF00058
(Ldl_recept_b) 		4 GLY A 973
PRO A 970
GLU A 969
ARG A1025
 None
 0.99A 3s3mA-1npeA:
undetectable		 3s3mA-1npeA:
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.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		4 PRO A  61
GLN A  53
GLU A  60
ARG A 172
 None
 0.91A 3s3mA-1tx4A:
undetectable		 3s3mA-1tx4A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uls PUTATIVE
3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		4 ASP A  36
GLY A  12
PRO A  41
GLU A  38
 None
 0.98A 3s3mA-1ulsA:
undetectable		 3s3mA-1ulsA:
19.80
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.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		4 ASP A 400
GLY A 410
TYR A  48
ARG A  63
 None
None
None
GOL  A1435 (-4.6A)
 0.97A 3s3mA-1uz4A:
undetectable		 3s3mA-1uz4A:
21.55
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 GLY A 207
PRO A 230
GLN A 233
GLU A 231
 None
 1.00A 3s3mA-1w1kA:
undetectable		 3s3mA-1w1kA:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ASP A 303
GLY A 306
GLU A 177
ARG A 109
 PQQ  A1596 (-3.9A)
None
CA  A1599 ( 2.3A)
PQQ  A1596 (-3.3A)
 0.98A 3s3mA-1w6sA:
undetectable		 3s3mA-1w6sA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ASP A 230
GLY A 321
TYR A 179
GLN A 254
 None
 0.98A 3s3mA-1z8lA:
undetectable		 3s3mA-1z8lA:
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.
2aeu HYPOTHETICAL PROTEIN
MJ0158

(Methanocaldococcus
jannaschii) 		PF03841
(SelA) 		4 ASP A  74
ASP A  77
GLY A 220
GLU A  75
 None
 0.99A 3s3mA-2aeuA:
undetectable		 3s3mA-2aeuA:
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ASP A 303
GLY A 306
GLU A 177
ARG A 109
 CA  A 775 ( 3.4A)
None
CA  A 775 ( 2.1A)
PQQ  A 601 (-3.2A)
 0.94A 3s3mA-2d0vA:
undetectable		 3s3mA-2d0vA:
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.
2gu9 TETRACENOMYCIN
POLYKETIDE SYNTHESIS
PROTEIN

(Xanthomonas
campestris) 		PF07883
(Cupin_2) 		4 ASP A  45
TYR A  96
PRO A  98
GLN A  20
 None
 1.04A 3s3mA-2gu9A:
undetectable		 3s3mA-2gu9A:
14.50
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		4 ASP A1011
ASP A1007
GLY A 710
ARG A 671
 MG  A3374 (-2.6A)
MG  A3374 (-2.6A)
None
None
 1.01A 3s3mA-2j7nA:
undetectable		 3s3mA-2j7nA:
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.
2nzi TITIN

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		4 ASP A 169
GLY A 116
PRO A 162
GLN A 149
 None
 0.94A 3s3mA-2nziA:
undetectable		 3s3mA-2nziA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2z HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF01933
(UPF0052) 		4 ASP A  37
ASP A  56
GLY A  12
PRO A  54
 None
SO4  A 324 ( 4.6A)
SO4  A 324 (-2.6A)
None
 1.04A 3s3mA-2o2zA:
undetectable		 3s3mA-2o2zA:
23.53
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.
2olg PRO-PHENOLOXIDASE
ACTIVATING ENZYME-I

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		4 GLY A 361
TYR A 149
GLU A  95
ARG A 225
 None
 0.87A 3s3mA-2olgA:
undetectable		 3s3mA-2olgA:
19.84
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.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		4 GLY A 205
TYR A 214
GLN A 237
GLU A 157
 None
 0.92A 3s3mA-2pbhA:
undetectable		 3s3mA-2pbhA:
20.98
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.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		4 ASP A  37
ASP A  56
GLY A  12
PRO A  54
 None
 1.04A 3s3mA-2ppvA:
undetectable		 3s3mA-2ppvA:
23.52
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.
2qiw PEP PHOSPHONOMUTASE

(Corynebacterium
glutamicum) 		PF13714
(PEP_mutase) 		4 ASP A  58
GLY A  59
PRO A  49
GLN A 239
 UNL  A 256 (-4.3A)
None
None
None
 0.98A 3s3mA-2qiwA:
2.2		 3s3mA-2qiwA:
17.62
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 ASP A 262
GLY A 259
GLN A 537
ARG A 328
 None
 0.96A 3s3mA-2qveA:
undetectable		 3s3mA-2qveA:
24.67
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.
2vkw NEURAL CELL ADHESION
MOLECULE 1,140 KDA
ISOFORM

(Homo sapiens) 		PF00041
(fn3) 		4 ASP A 625
GLY A 565
TYR A 572
PRO A 510
 None
 0.98A 3s3mA-2vkwA:
undetectable		 3s3mA-2vkwA:
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.
2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC

(Escherichia
coli) 		PF06178
(KdgM) 		4 ASP A 188
TYR A 133
GLN A 174
GLU A 186
 None
 1.03A 3s3mA-2wjrA:
undetectable		 3s3mA-2wjrA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		4 ASP A  61
ASP A  60
GLY A  99
GLN A  57
 FMT  A 402 ( 4.1A)
FMT  A 402 ( 2.7A)
None
None
 0.87A 3s3mA-2wocA:
undetectable		 3s3mA-2wocA:
20.10
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.
2yet GH61 ISOZYME A

(Thermoascus
aurantiacus) 		PF03443
(Glyco_hydro_61) 		4 GLY A  46
PRO A 176
GLN A 177
GLU A 159
 None
 0.96A 3s3mA-2yetA:
undetectable		 3s3mA-2yetA:
18.89
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 ASP A 539
ASP A 538
GLY A 739
TYR A 735
 CA  A1934 (-2.2A)
CA  A1934 ( 4.7A)
None
None
 0.79A 3s3mA-2yhgA:
undetectable		 3s3mA-2yhgA:
19.38
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 GLY A  25
PRO A 274
GLU A 436
ARG A  45
 None
FAD  A 600 ( 4.9A)
None
FAD  A 600 ( 3.8A)
 0.88A 3s3mA-2z5xA:
undetectable		 3s3mA-2z5xA:
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 GLY A 315
PRO A 357
GLN A 364
GLU A 362
 None
None
EDO  A 503 ( 4.6A)
None
 0.93A 3s3mA-3b5qA:
undetectable		 3s3mA-3b5qA:
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 ASP A 269
ASP A 277
GLY A 276
GLN A 248
 None
None
EDO  A 405 ( 4.7A)
None
 1.03A 3s3mA-3b7fA:
undetectable		 3s3mA-3b7fA:
20.50
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.
3bjq PHAGE-RELATED
PROTEIN

(Bordetella
bronchiseptica) 		PF03864
(Phage_cap_E) 		4 ASP A 309
ASP A 243
GLY A 241
PRO A 133
 None
 1.00A 3s3mA-3bjqA:
undetectable		 3s3mA-3bjqA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 281
GLY A 315
GLU A 258
ARG A  38
 None
 0.92A 3s3mA-3ddmA:
undetectable		 3s3mA-3ddmA:
19.15
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 118
PRO A 120
GLU A 579
ARG A 454
 None
 0.79A 3s3mA-3ddrA:
undetectable		 3s3mA-3ddrA:
17.80
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ASP A 973
ASP A 975
GLY A 894
GLN A 983
 DGT  A1456 ( 2.7A)
MG  A   5 ( 2.4A)
DGT  A1456 (-3.1A)
None
 0.93A 3s3mA-3f2bA:
undetectable		 3s3mA-3f2bA:
17.56
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.
3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF01359
(Transposase_1) 		4 ASP A  38
ASP A 130
TYR A 157
PRO A 159
 MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
 0.67A 3s3mA-3f2kA:
10.5		 3s3mA-3f2kA:
20.30
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 116
GLY A 118
GLN A 148
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 0.83A 3s3mA-3f9kA:
undetectable		 3s3mA-3f9kA:
19.00
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 116
GLY A 118
GLU A 152
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 1.03A 3s3mA-3f9kA:
undetectable		 3s3mA-3f9kA:
19.00
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.
3hly FLAVODOXIN-LIKE
DOMAIN

(Synechococcus
elongatus) 		no annotation 4 ASP A 349
ASP A 355
GLY A 353
PRO A 357
 None
 0.85A 3s3mA-3hlyA:
undetectable		 3s3mA-3hlyA:
17.97
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.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		4 ASP A  44
GLY A  53
TYR A 147
PRO A  47
 None
 0.98A 3s3mA-3ipoA:
undetectable		 3s3mA-3ipoA:
22.30
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.
3kin KINESIN HEAVY CHAIN

(Rattus
norvegicus) 		PF00225
(Kinesin) 		4 ASP B 290
GLY B 294
TYR B 279
PRO A 164
 None
 1.04A 3s3mA-3kinB:
undetectable		 3s3mA-3kinB:
15.49
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.
3ksk TYPE-2 RESTRICTION
ENZYME PVUII

(Proteus hauseri) 		PF09225
(Endonuc-PvuII) 		4 ASP A 218
GLY A 213
GLN A 256
GLU A 228
 None
 1.03A 3s3mA-3kskA:
undetectable		 3s3mA-3kskA:
22.51
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.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		4 ASP A 150
ASP A 154
GLY A 166
TYR A 197
 CA  A 323 ( 2.7A)
CA  A 323 ( 2.5A)
None
None
 1.04A 3s3mA-3m1rA:
undetectable		 3s3mA-3m1rA:
21.22
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.
3oet ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		4 GLY A 257
TYR A 317
GLU A 261
ARG A 321
 NAD  A 379 (-3.6A)
None
None
None
 1.04A 3s3mA-3oetA:
undetectable		 3s3mA-3oetA:
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 GLY A 408
TYR A 577
GLN A 571
GLU A 572
 None
 1.00A 3s3mA-3opyA:
undetectable		 3s3mA-3opyA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oyn PFV INTEGRASE

(Simian foamy
virus) 		PF00665
(rve) 		7 ASP A 128
ASP A 185
GLY A 187
TYR A 212
PRO A 214
GLN A 215
GLU A 221
 MG  A 396 (-2.6A)
MG  A 396 ( 2.7A)
ZZX  A 398 ( 3.7A)
ZZX  A 398 ( 4.0A)
ZZX  A 398 (-4.1A)
ZZX  A 398 (-3.9A)
MG  A 397 ( 1.8A)
 0.32A 3s3mA-3oynA:
45.1		 3s3mA-3oynA:
99.75
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.
3qe3 SORBITOL
DEHYDROGENASE

(Ovis aries) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 341
PRO A 318
GLU A 213
ARG A 323
 None
 0.95A 3s3mA-3qe3A:
2.1		 3s3mA-3qe3A:
23.57
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.
3ryk DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Bacillus
anthracis) 		PF00908
(dTDP_sugar_isom) 		4 ASP A  83
GLY A 120
TYR A 132
GLN A 110
 None
 0.98A 3s3mA-3rykA:
undetectable		 3s3mA-3rykA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ASP A  51
GLY A  54
PRO A 381
GLU A  81
 None
 0.78A 3s3mA-3sunA:
3.5		 3s3mA-3sunA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ASP A 421
ASP A 424
GLY A 327
GLN A 428
 None
 1.01A 3s3mA-3ttfA:
3.9		 3s3mA-3ttfA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 GLY A  16
PRO A 265
GLU A 427
ARG A  36
 None
FAD  A 600 ( 4.7A)
None
FAD  A 600 (-3.8A)
 0.99A 3s3mA-3zyxA:
undetectable		 3s3mA-3zyxA:
20.41
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ASP A  96
GLY A  99
PRO A 141
GLU A 142
 None
 0.96A 3s3mA-4a2lA:
undetectable		 3s3mA-4a2lA:
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		4 ASP A 297
GLY A 300
GLU A 171
ARG A 109
 CA  A 702 (-3.6A)
None
CA  A 702 ( 2.3A)
PQQ  A 701 (-3.6A)
 0.99A 3s3mA-4aahA:
undetectable		 3s3mA-4aahA:
20.34
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.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		4 ASP A 145
ASP A 144
GLY A 198
PRO A 193
 None
 0.92A 3s3mA-4aweA:
undetectable		 3s3mA-4aweA:
21.19
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		4 ASP A 332
GLY A  40
GLN A 274
GLU A 275
 ZN  A 401 (-2.9A)
None
None
ZN  A 401 (-2.2A)
 0.79A 3s3mA-4bf7A:
undetectable		 3s3mA-4bf7A:
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		4 TYR A 216
PRO A 215
GLN A 269
GLU A 265
 None
 0.93A 3s3mA-4e8dA:
undetectable		 3s3mA-4e8dA:
21.17
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.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ASP A 691
GLY A 694
GLN A 651
GLU A 654
 None
 0.85A 3s3mA-4fd2A:
undetectable		 3s3mA-4fd2A:
20.71
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.
4k6x DISULFIDE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF13462
(Thioredoxin_4) 		4 ASP A  59
GLY A  58
TYR A  84
ARG A 218
 None
 1.04A 3s3mA-4k6xA:
undetectable		 3s3mA-4k6xA:
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 ASP A 299
ASP A 301
GLY A 302
GLU A 172
ARG A 110
 15P  A 603 (-2.7A)
CE  A 601 ( 2.3A)
None
CE  A 601 (-2.5A)
PQQ  A 602 (-3.3A)
 1.41A 3s3mA-4maeA:
undetectable		 3s3mA-4maeA:
21.56
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.
4mda MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		4 ASP A 156
ASP A 249
TYR A 276
PRO A 278
 MN  A 401 (-2.6A)
MN  A 401 ( 2.7A)
RLT  A 403 (-3.6A)
RLT  A 403 ( 4.9A)
 0.83A 3s3mA-4mdaA:
10.2		 3s3mA-4mdaA:
19.54
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.
4ri2 PHOTOSYSTEM II 22
KDA PROTEIN,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00504
(Chloroa_b-bind) 		4 ASP A 207
ASP A  21
GLY A  22
ARG A 146
 None
 0.95A 3s3mA-4ri2A:
undetectable		 3s3mA-4ri2A:
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 4 ASP B 331
GLY B 334
GLU B 205
ARG B 137
 CA  B 701 ( 3.1A)
None
CA  B 701 ( 2.2A)
PQQ  B 702 (-3.0A)
 0.93A 3s3mA-4tqoB:
undetectable		 3s3mA-4tqoB:
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.
4trg SIDC

(Legionella
pneumophila) 		no annotation 4 GLY A 392
PRO A 401
GLN A 425
GLU A 400
 None
 0.77A 3s3mA-4trgA:
undetectable		 3s3mA-4trgA:
22.05
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.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		4 ASP A 216
ASP A 165
GLY A 167
GLN A 227
 None
 0.98A 3s3mA-4twbA:
undetectable		 3s3mA-4twbA:
23.50
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.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 176
GLY A 177
TYR A 163
PRO A 161
 None
 0.96A 3s3mA-4tx1A:
undetectable		 3s3mA-4tx1A:
19.85
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.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 176
ASP A 194
GLY A 196
GLN A 133
 ZN  A 403 (-3.2A)
ZN  A 403 ( 2.6A)
None
KSA  A 405 (-3.2A)
 1.01A 3s3mA-4wsqA:
undetectable		 3s3mA-4wsqA:
20.05
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.
4zuz SIDC

(Legionella
pneumophila) 		no annotation 4 GLY A 393
PRO A 402
GLN A 426
GLU A 401
 None
 0.87A 3s3mA-4zuzA:
undetectable		 3s3mA-4zuzA:
17.80
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		4 ASP A1526
GLY A1523
TYR A1528
GLU A1687
 None
 1.01A 3s3mA-5amqA:
undetectable		 3s3mA-5amqA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cr4 SLEEPING BEAUTY
TRANSPOSASE, SB100X

(synthetic
construct) 		PF01498
(HTH_Tnp_Tc3_2)
PF13358
(DDE_3) 		4 ASP A  43
ASP A 134
PRO A 163
GLU A 169
 GOL  A 317 (-4.2A)
SO4  A 309 ( 3.9A)
GOL  A 317 (-3.8A)
GOL  A 317 (-4.0A)
 0.61A 3s3mA-5cr4A:
11.1		 3s3mA-5cr4A:
21.72
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.
5d9a POLYMERASE BASIC
PROTEIN 2

(Influenza C
virus) 		PF00604
(Flu_PB2) 		4 ASP C 581
GLY C 578
GLU C 599
ARG C 757
 None
 1.00A 3s3mA-5d9aC:
undetectable		 3s3mA-5d9aC:
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		4 ASP A 390
GLY A  25
GLN A 398
ARG A 280
 None
 1.04A 3s3mA-5dqpA:
undetectable		 3s3mA-5dqpA:
23.57
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		4 ASP A 390
GLY A  25
GLN A 398
GLU A 393
 None
 0.49A 3s3mA-5dqpA:
undetectable		 3s3mA-5dqpA:
23.57
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.
5dzx PROTOCADHERIN BETA 6

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 206
GLY A 244
GLN A 115
GLU A 116
 CA  A 516 (-3.4A)
None
None
CA  A 516 ( 2.9A)
 0.98A 3s3mA-5dzxA:
undetectable		 3s3mA-5dzxA:
24.17
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 ASP A 224
GLY A 364
TYR A  39
GLU A 201
 ZN  A 806 (-2.7A)
ATP  A 801 (-3.1A)
ATP  A 801 (-4.8A)
ZN  A 806 ( 2.6A)
 0.88A 3s3mA-5e84A:
3.7		 3s3mA-5e84A:
22.71
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 ASP A 668
GLY A 670
PRO A 666
GLU A 665
 None
 0.56A 3s3mA-5ehkA:
undetectable		 3s3mA-5ehkA:
15.07
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.
5ejk GAG-PRO-POL
POLYPROTEIN

(Rous sarcoma
virus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 121
GLY A 123
GLU A 157
 None
 0.60A 3s3mA-5ejkA:
18.9		 3s3mA-5ejkA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1

(Thielavia
terrestris) 		PF05183
(RdRP) 		4 ASP A 632
ASP A 628
GLY A 330
ARG A 293
 None
 0.96A 3s3mA-5fswA:
undetectable		 3s3mA-5fswA:
16.89
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 ASP A1759
GLY A1762
PRO A1757
GLN A1633
GLU A1756
 None
 1.37A 3s3mA-5lkiA:
undetectable		 3s3mA-5lkiA:
10.00
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.
5m0q INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  66
ASP A 118
GLY A 120
GLU A 154
 None
 0.78A 3s3mA-5m0qA:
17.6		 3s3mA-5m0qA:
21.18
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A 721
ASP A 680
TYR A 626
GLN A 606
 None
 1.03A 3s3mA-5ngyA:
undetectable		 3s3mA-5ngyA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovo ADP-RIBOSYL-(DINITRO
GEN REDUCTASE)
HYDROLASE

(Azospirillum
brasilense) 		no annotation 4 ASP A  61
ASP A  60
GLY A  99
GLN A  57
 MG  A 302 ( 4.1A)
MG  A 302 ( 3.7A)
ADP  A 301 (-3.4A)
None
 0.97A 3s3mA-5ovoA:
undetectable		 3s3mA-5ovoA:
19.35
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 ASP A 210
GLY A 228
TYR A 202
GLU A 178
 None
None
None
MG  A 701 ( 3.7A)
 0.90A 3s3mA-5tkyA:
3.5		 3s3mA-5tkyA:
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.
5ttx HYDROGENASE 2
MATURATION PEPTIDASE

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF01750
(HycI) 		4 ASP A  19
GLY A  18
PRO A  73
GLU A 139
 None
 0.94A 3s3mA-5ttxA:
undetectable		 3s3mA-5ttxA:
17.60
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		7 ASP A  64
ASP A 116
GLY A 118
TYR A 143
PRO A 145
GLN A 146
ARG A 231
 MG  A 501 (-1.8A)
MG  A 501 (-2.8A)
None
None
None
None
None
 0.98A 3s3mA-5u1cA:
11.5		 3s3mA-5u1cA:
22.99
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.
5vsn RYANODINE RECEPTOR 2

(Mus musculus) 		no annotation 4 ASP A1184
GLY A1187
GLN A1143
GLU A1150
 None
 1.00A 3s3mA-5vsnA:
undetectable		 3s3mA-5vsnA:
11.38
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.
5w5b HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CMR

(Mycobacterium
tuberculosis) 		no annotation 4 ASP A 106
GLY A  38
PRO A 104
ARG A  47
 None
 1.04A 3s3mA-5w5bA:
undetectable		 3s3mA-5w5bA:
14.24
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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 GLY A  46
PRO A 176
GLN A 177
GLU A 159
 None
 0.96A 3s3mA-5x6aA:
undetectable		 3s3mA-5x6aA:
16.17
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 4 ASP A 334
GLY A 337
GLU A 208
ARG A 140
 MG  A 702 (-3.5A)
None
MG  A 702 ( 2.2A)
PQQ  A 701 (-3.3A)
 0.95A 3s3mA-5xm3A:
undetectable		 3s3mA-5xm3A:
11.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 5 ASP A2475
GLY A2478
TYR A2643
GLU A2509
ARG A2407
 None
 1.47A 3s3mA-5yz0A:
undetectable		 3s3mA-5yz0A:
14.69
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.
5zji CHLOROPHYLL A-B
BINDING PROTEIN,
CHLOROPLASTIC

(Zea mays) 		no annotation 4 ASP 1  60
ASP 1  66
GLY 1  68
PRO 1  64
 None
CLA  1 602 (-3.2A)
CLA  1 602 (-3.9A)
None
 0.99A 3s3mA-5zji1:
undetectable		 3s3mA-5zji1:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 5 ASP A 121
ASP A 795
GLY A 794
PRO A 111
GLN A 112
 None
 1.31A 3s3mA-6bogA:
undetectable		 3s3mA-6bogA:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 4 GLY P 681
TYR P 632
GLN P 424
ARG P 688
 None
 1.04A 3s3mA-6c1dP:
undetectable		 3s3mA-6c1dP:
12.75
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.
6cj0 TREHALOSE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A  11
ASP A 220
GLN A  48
ARG A  21
 MG  A 301 ( 2.3A)
MG  A 301 (-2.9A)
None
None
 1.04A 3s3mA-6cj0A:
undetectable		 3s3mA-6cj0A:
10.38