SIMILAR PATTERNS OF AMINO ACIDS FOR 3BJ8_C_SPMC500_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.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		4 ASP A 272
LEU A 274
LEU A 310
HIS A   8
 None
 1.23A 3bj8C-1bxcA:
0.8
3bj8D-1bxcA:
0.8		 3bj8C-1bxcA:
15.79
3bj8D-1bxcA:
15.79
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 ASP A 152
LEU A 199
ASP A 154
LEU A 183
 None
 1.23A 3bj8C-1cemA:
undetectable
3bj8D-1cemA:
0.0		 3bj8C-1cemA:
18.65
3bj8D-1cemA:
18.65
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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 ASP A  83
LEU A  80
ASP A  49
LEU A  47
 FEO  A 404 (-2.2A)
None
None
None
 1.23A 3bj8C-1e5dA:
0.1
3bj8D-1e5dA:
0.0		 3bj8C-1e5dA:
18.09
3bj8D-1e5dA:
18.09
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		4 ASP A 178
LEU A 140
ASP A 180
LEU A 450
 None
 1.06A 3bj8C-1gz5A:
0.0
3bj8D-1gz5A:
0.0		 3bj8C-1gz5A:
17.98
3bj8D-1gz5A:
17.98
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ASP A  29
LEU A   5
ASP A  25
LEU A  23
 A79  A 800 (-2.7A)
None
A79  A 800 (-2.8A)
A79  A 800 ( 4.0A)
 1.20A 3bj8C-1hvcA:
0.0
3bj8D-1hvcA:
0.0		 3bj8C-1hvcA:
20.00
3bj8D-1hvcA:
20.00
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ASP A  29
LEU A   5
ASP A  25
LEU A  23
 A79  A 800 (-2.8A)
None
A79  A 800 (-2.7A)
A79  A 800 ( 3.8A)
 1.16A 3bj8C-1hvcA:
0.0
3bj8D-1hvcA:
0.0		 3bj8C-1hvcA:
20.00
3bj8D-1hvcA:
20.00
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.
1mg1 PROTEIN (HTLV-1 GP21
ECTODOMAIN/MALTOSE-B
INDING PROTEIN
CHIMERA)

(Primate
T-lymphotropic
virus 1) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		4 ASP A  15
LEU A  44
LEU A  21
TRP A  63
 MAL  A 456 (-3.4A)
None
None
MAL  A 456 (-4.3A)
 1.25A 3bj8C-1mg1A:
0.0
3bj8D-1mg1A:
0.0		 3bj8C-1mg1A:
15.71
3bj8D-1mg1A:
15.71
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.
1p6u CHEY2

(Sinorhizobium
meliloti) 		PF00072
(Response_reg) 		4 ASP A  92
LEU A  87
ASP A  65
LEU A  69
 None
 1.22A 3bj8C-1p6uA:
0.0
3bj8D-1p6uA:
undetectable		 3bj8C-1p6uA:
21.47
3bj8D-1p6uA:
21.47
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.
1qu5 PROTEIN KINASE SPK1

(Saccharomyces
cerevisiae) 		PF00498
(FHA) 		4 LEU A 580
ASP A 615
LEU A 618
HIS A 622
 None
 1.15A 3bj8C-1qu5A:
0.0
3bj8D-1qu5A:
0.0		 3bj8C-1qu5A:
20.74
3bj8D-1qu5A:
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.
1v29 NITRILE HYDRATASE A
CHAIN
NITRILE HYDRATASE B
CHAIN

(Bacillus
smithii) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		4 ASP A 172
ASP B 218
LEU B 196
HIS B 179
 None
 1.21A 3bj8C-1v29A:
undetectable
3bj8D-1v29A:
undetectable		 3bj8C-1v29A:
23.61
3bj8D-1v29A:
23.61
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.
1wf7 ENIGMA HOMOLOGUE
PROTEIN

(Mus musculus) 		PF00595
(PDZ) 		4 ASP A  57
LEU A  11
LEU A  31
TRP A  17
 None
 1.26A 3bj8C-1wf7A:
undetectable
3bj8D-1wf7A:
undetectable		 3bj8C-1wf7A:
21.12
3bj8D-1wf7A:
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.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		4 LEU A  80
ASP A 132
LEU A 175
HIS A  33
 None
 1.12A 3bj8C-1wnoA:
undetectable
3bj8D-1wnoA:
undetectable		 3bj8C-1wnoA:
17.47
3bj8D-1wnoA:
17.47
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		4 ASP A  93
LEU A  97
ASP A  67
LEU A  73
 None
 1.25A 3bj8C-1y8cA:
undetectable
3bj8D-1y8cA:
undetectable		 3bj8C-1y8cA:
20.54
3bj8D-1y8cA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yew PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C2

(Methylococcus
capsulatus) 		PF04896
(AmoC) 		4 LEU C 107
LEU C 138
HIS C 134
TRP C 108
 None
 1.25A 3bj8C-1yewC:
undetectable
3bj8D-1yewC:
undetectable		 3bj8C-1yewC:
19.24
3bj8D-1yewC:
19.24
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.
1yrg GTPASE-ACTIVATING
PROTEIN RNA1_SCHPO

(Schizosaccharomyces
pombe) 		no annotation 4 ASP A 323
LEU A 337
ASP A 319
LEU A 288
 None
 1.24A 3bj8C-1yrgA:
undetectable
3bj8D-1yrgA:
undetectable		 3bj8C-1yrgA:
17.90
3bj8D-1yrgA:
17.90
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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		4 ASP A  50
LEU A  56
ASP A  79
LEU A 131
 None
 1.19A 3bj8C-1yzfA:
undetectable
3bj8D-1yzfA:
undetectable		 3bj8C-1yzfA:
25.48
3bj8D-1yzfA:
25.48
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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 ASP H 245
LEU H 188
ASP H 240
LEU H 249
 None
 1.22A 3bj8C-2bbkH:
undetectable
3bj8D-2bbkH:
undetectable		 3bj8C-2bbkH:
19.29
3bj8D-2bbkH:
19.29
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.
2cg8 DIHYDRONEOPTERIN
ALDOLASE
6-HYDROXYMETHYL-7,8-
DIHYDROPTERIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01288
(HPPK)
PF02152
(FolB) 		4 ASP A 227
LEU A 223
ASP A 186
LEU A 182
 None
 1.19A 3bj8C-2cg8A:
undetectable
3bj8D-2cg8A:
undetectable		 3bj8C-2cg8A:
20.65
3bj8D-2cg8A:
20.65
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ASP A 308
LEU A 405
ASP A 432
LEU A 351
 None
None
CA  A 503 (-2.3A)
None
 1.27A 3bj8C-2d3lA:
undetectable
3bj8D-2d3lA:
undetectable		 3bj8C-2d3lA:
16.87
3bj8D-2d3lA:
16.87
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.
2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		4 ASP A 168
ASP B 218
LEU B 196
HIS B 179
 None
 1.24A 3bj8C-2dppA:
undetectable
3bj8D-2dppA:
undetectable		 3bj8C-2dppA:
24.35
3bj8D-2dppA:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		4 ASP A 205
LEU A 202
ASP A 180
HIS A 144
 None
None
None
GOL  A 279 (-4.3A)
 1.27A 3bj8C-2dwuA:
undetectable
3bj8D-2dwuA:
undetectable		 3bj8C-2dwuA:
21.75
3bj8D-2dwuA:
21.75
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.
2e1d TRANSALDOLASE

(Mus musculus) 		PF00923
(TAL_FSA) 		4 ASP A 108
LEU A 322
ASP A  85
LEU A 128
 None
 1.22A 3bj8C-2e1dA:
undetectable
3bj8D-2e1dA:
undetectable		 3bj8C-2e1dA:
22.29
3bj8D-2e1dA:
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.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		4 ASP A 430
LEU A 435
ASP A 298
TRP A 459
 None
 1.22A 3bj8C-2ehqA:
undetectable
3bj8D-2ehqA:
undetectable		 3bj8C-2ehqA:
16.63
3bj8D-2ehqA:
16.63
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		4 ASP A 170
LEU A 179
ASP A 182
LEU A 227
 None
 1.27A 3bj8C-2gu0A:
undetectable
3bj8D-2gu0A:
undetectable		 3bj8C-2gu0A:
20.06
3bj8D-2gu0A:
20.06
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.
2i34 ACID PHOSPHATASE

(Bacillus
anthracis) 		PF03767
(Acid_phosphat_B) 		4 ASP A 244
LEU A 246
ASP A 239
LEU A  16
 None
 1.16A 3bj8C-2i34A:
undetectable
3bj8D-2i34A:
undetectable		 3bj8C-2i34A:
21.74
3bj8D-2i34A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iak BULLOUS PEMPHIGOID
ANTIGEN 1, ISOFORM 5

(Mus musculus) 		PF00435
(Spectrin) 		4 LEU A 186
ASP A 120
LEU A  59
HIS A 123
 None
 1.25A 3bj8C-2iakA:
undetectable
3bj8D-2iakA:
undetectable		 3bj8C-2iakA:
21.79
3bj8D-2iakA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu3 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Gallus gallus) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 ASP A  51
LEU A  55
LEU A 132
HIS A  74
 None
 1.18A 3bj8C-2iu3A:
undetectable
3bj8D-2iu3A:
undetectable		 3bj8C-2iu3A:
14.09
3bj8D-2iu3A:
14.09
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.
2lwf MONOTHIOL
GLUTAREDOXIN-S16,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 ASP A  97
LEU A  99
LEU A 116
HIS A 115
 None
 1.26A 3bj8C-2lwfA:
1.2
3bj8D-2lwfA:
1.3		 3bj8C-2lwfA:
20.35
3bj8D-2lwfA:
20.35
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.
2o5a BH1328 PROTEIN

(Bacillus
halodurans) 		PF02410
(RsfS) 		4 LEU A   6
ASP A  81
LEU A  79
HIS A  88
 None
 1.22A 3bj8C-2o5aA:
undetectable
3bj8D-2o5aA:
undetectable		 3bj8C-2o5aA:
18.97
3bj8D-2o5aA:
18.97
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.
2o8i HYPOTHETICAL PROTEIN
ATU2327

(Agrobacterium
fabrum) 		PF09349
(OHCU_decarbox) 		4 ASP A 126
LEU A 128
LEU A  70
HIS A  97
 None
 1.03A 3bj8C-2o8iA:
undetectable
3bj8D-2o8iA:
undetectable		 3bj8C-2o8iA:
20.43
3bj8D-2o8iA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p19 TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF07702
(UTRA) 		4 ASP A  76
LEU A  78
LEU A  53
HIS A 133
 None
 1.16A 3bj8C-2p19A:
undetectable
3bj8D-2p19A:
undetectable		 3bj8C-2p19A:
19.54
3bj8D-2p19A:
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.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		4 ASP A  93
LEU A 190
ASP A 237
HIS A 315
 None
 1.19A 3bj8C-2p4sA:
undetectable
3bj8D-2p4sA:
undetectable		 3bj8C-2p4sA:
17.65
3bj8D-2p4sA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pq0 HYPOTHETICAL
CONSERVED PROTEIN
GK1056

(Geobacillus
kaustophilus) 		PF08282
(Hydrolase_3) 		4 ASP A  11
LEU A  14
ASP A 211
LEU A 215
 None
 1.19A 3bj8C-2pq0A:
undetectable
3bj8D-2pq0A:
undetectable		 3bj8C-2pq0A:
21.40
3bj8D-2pq0A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		4 LEU A 358
ASP A 212
LEU A 174
HIS A  74
 None
None
None
FE  A 500 (-3.2A)
 1.02A 3bj8C-2q09A:
undetectable
3bj8D-2q09A:
undetectable		 3bj8C-2q09A:
16.22
3bj8D-2q09A:
16.22
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.
2q3g PDZ AND LIM DOMAIN
PROTEIN 7

(Homo sapiens) 		PF00595
(PDZ) 		4 ASP A  54
LEU A   8
LEU A  28
TRP A  14
 None
 1.13A 3bj8C-2q3gA:
undetectable
3bj8D-2q3gA:
undetectable		 3bj8C-2q3gA:
17.44
3bj8D-2q3gA:
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.
2qv6 GTP CYCLOHYDROLASE
III

(Methanocaldococcus
jannaschii) 		PF05165
(GCH_III) 		4 LEU A 166
ASP A 138
LEU A 233
HIS A 136
 None
CA  A 302 (-2.1A)
None
GTP  A 300 (-4.7A)
 1.21A 3bj8C-2qv6A:
undetectable
3bj8D-2qv6A:
undetectable		 3bj8C-2qv6A:
22.22
3bj8D-2qv6A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3z PUTATIVE DEACETYLASE

(Streptococcus
mutans) 		PF01522
(Polysacc_deac_1) 		4 ASP A 114
LEU A 140
LEU A 129
HIS A 161
 PO4  A1313 (-3.4A)
None
None
None
 1.18A 3bj8C-2w3zA:
undetectable
3bj8D-2w3zA:
undetectable		 3bj8C-2w3zA:
18.91
3bj8D-2w3zA:
18.91
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.
2yg8 DNA-3-METHYLADENINE
GLYCOSIDASE II,
PUTATIVE

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		4 LEU A  36
ASP A 171
LEU A  23
TRP A 200
 None
 1.26A 3bj8C-2yg8A:
undetectable
3bj8D-2yg8A:
undetectable		 3bj8C-2yg8A:
20.00
3bj8D-2yg8A:
20.00
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ASP A  30
LEU A  85
ASP A  36
LEU A  40
 None
 1.07A 3bj8C-2ynkA:
undetectable
3bj8D-2ynkA:
undetectable		 3bj8C-2ynkA:
16.59
3bj8D-2ynkA:
16.59
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.
3cdk SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
A

(Bacillus
subtilis) 		PF01144
(CoA_trans) 		4 ASP A 162
LEU A 167
LEU A   7
HIS A 214
 None
 1.25A 3bj8C-3cdkA:
undetectable
3bj8D-3cdkA:
undetectable		 3bj8C-3cdkA:
20.16
3bj8D-3cdkA:
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.
3cq0 PUTATIVE
TRANSALDOLASE
YGR043C

(Saccharomyces
cerevisiae) 		PF00923
(TAL_FSA) 		4 ASP A 110
LEU A 325
ASP A  87
LEU A 130
 GOL  A 352 ( 3.6A)
None
GOL  A 351 (-3.5A)
None
 1.19A 3bj8C-3cq0A:
undetectable
3bj8D-3cq0A:
undetectable		 3bj8C-3cq0A:
20.83
3bj8D-3cq0A:
20.83
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		4 ASP A  86
LEU A  90
ASP A  60
LEU A  66
 None
 1.25A 3bj8C-3d2lA:
undetectable
3bj8D-3d2lA:
undetectable		 3bj8C-3d2lA:
20.95
3bj8D-3d2lA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcd GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		4 ASP A 262
LEU A 174
ASP A 260
LEU A  56
 None
 1.26A 3bj8C-3dcdA:
undetectable
3bj8D-3dcdA:
undetectable		 3bj8C-3dcdA:
18.57
3bj8D-3dcdA:
18.57
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.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		4 ASP A 101
LEU A 313
ASP A  78
LEU A 121
 NA  A 343 (-3.2A)
None
NA  A 341 (-3.8A)
None
 1.03A 3bj8C-3hjzA:
undetectable
3bj8D-3hjzA:
undetectable		 3bj8C-3hjzA:
21.79
3bj8D-3hjzA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		4 LEU A 192
ASP A  87
LEU A  55
HIS A 139
 None
 0.85A 3bj8C-3hsiA:
undetectable
3bj8D-3hsiA:
undetectable		 3bj8C-3hsiA:
17.78
3bj8D-3hsiA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htm SPECKLE-TYPE POZ
PROTEIN

(Homo sapiens) 		PF00651
(BTB) 		4 LEU A 266
ASP A 271
LEU A 308
HIS A 312
 None
 1.07A 3bj8C-3htmA:
undetectable
3bj8D-3htmA:
undetectable		 3bj8C-3htmA:
20.63
3bj8D-3htmA:
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.
3i3g N-ACETYLTRANSFERASE

(Trypanosoma
brucei) 		PF00583
(Acetyltransf_1) 		4 LEU A 107
ASP A  87
LEU A  24
HIS A  20
 None
 1.18A 3bj8C-3i3gA:
14.5
3bj8D-3i3gA:
14.9		 3bj8C-3i3gA:
22.91
3bj8D-3i3gA:
22.91
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.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		4 ASP A 184
LEU A 227
ASP A 292
LEU A  50
 None
None
MG  A 337 ( 4.0A)
None
 1.05A 3bj8C-3imhA:
0.1
3bj8D-3imhA:
undetectable		 3bj8C-3imhA:
20.06
3bj8D-3imhA:
20.06
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.
3jap EIF3C

(Saccharomyces
cerevisiae) 		PF00203
(Ribosomal_S19) 		4 LEU p 376
ASP p 324
LEU p 299
TRP p 318
 None
 1.09A 3bj8C-3japp:
undetectable
3bj8D-3japp:
undetectable		 3bj8C-3japp:
5.06
3bj8D-3japp:
5.06
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.
3kxr MAGNESIUM
TRANSPORTER,
PUTATIVE

(Shewanella
oneidensis) 		PF00571
(CBS)
PF03448
(MgtE_N) 		4 ASP A  89
LEU A  91
ASP A 108
HIS A 112
 None
 1.05A 3bj8C-3kxrA:
undetectable
3bj8D-3kxrA:
undetectable		 3bj8C-3kxrA:
21.80
3bj8D-3kxrA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcv SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM

(Micromonospora
zionensis) 		PF07091
(FmrO) 		4 ASP B 156
LEU B 183
ASP B 131
LEU B 129
 SAM  B 301 (-2.9A)
SAM  B 301 (-4.0A)
None
None
 1.01A 3bj8C-3lcvB:
undetectable
3bj8D-3lcvB:
undetectable		 3bj8C-3lcvB:
20.35
3bj8D-3lcvB:
20.35
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.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		4 LEU X 249
ASP X  70
LEU X  77
HIS X  53
 None
 1.00A 3bj8C-3mbrX:
undetectable
3bj8D-3mbrX:
undetectable		 3bj8C-3mbrX:
21.37
3bj8D-3mbrX:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nbi RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
1

(Homo sapiens) 		PF08585
(RMI1_N) 		4 ASP A  71
LEU A  74
ASP A 141
LEU A  87
 None
 1.26A 3bj8C-3nbiA:
undetectable
3bj8D-3nbiA:
undetectable		 3bj8C-3nbiA:
22.36
3bj8D-3nbiA:
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ASP A 248
LEU A 276
ASP A 228
TRP A 268
 SAH  A 401 (-3.6A)
None
SAH  A 401 (-2.9A)
None
 1.08A 3bj8C-3p9cA:
undetectable
3bj8D-3p9cA:
1.3		 3bj8C-3p9cA:
19.10
3bj8D-3p9cA:
19.10
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		4 LEU A 147
ASP A  87
LEU A  84
HIS A  80
 None
None
None
CIT  A 326 (-3.9A)
 1.22A 3bj8C-3pkoA:
undetectable
3bj8D-3pkoA:
undetectable		 3bj8C-3pkoA:
19.46
3bj8D-3pkoA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvi HISTO-ASPARTIC
PROTEASE

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 ASP A 134
ASP A 127
LEU A 188
HIS A 186
 ASP  A 134 ( 0.6A)
ASP  A 127 ( 0.6A)
LEU  A 188 ( 0.5A)
HIS  A 186 ( 1.0A)
 0.78A 3bj8C-3qviA:
undetectable
3bj8D-3qviA:
undetectable		 3bj8C-3qviA:
17.18
3bj8D-3qviA:
17.18
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.
3rx6 POLARITY SUPPRESSION
PROTEIN

(Enterobacteria
phage P4) 		PF07455
(Psu) 		4 ASP A  87
LEU A  85
ASP A 146
LEU A 150
 None
 1.18A 3bj8C-3rx6A:
undetectable
3bj8D-3rx6A:
undetectable		 3bj8C-3rx6A:
18.93
3bj8D-3rx6A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 ASP A 388
LEU A 392
ASP A 355
LEU A 364
 SAH  A 900 (-4.1A)
None
SAH  A 900 (-2.8A)
None
 1.18A 3bj8C-3s1sA:
undetectable
3bj8D-3s1sA:
undetectable		 3bj8C-3s1sA:
11.39
3bj8D-3s1sA:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr8 OLIGORIBONUCLEASE

(Coxiella
burnetii) 		PF00929
(RNase_T) 		4 ASP A 133
ASP A 112
LEU A 116
TRP A  10
 None
MN  A 185 ( 4.3A)
None
None
 1.16A 3bj8C-3tr8A:
undetectable
3bj8D-3tr8A:
undetectable		 3bj8C-3tr8A:
22.22
3bj8D-3tr8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ASP A  77
LEU A  84
ASP A  38
LEU A  57
 NAD  A 274 (-3.4A)
None
NAD  A 274 (-2.9A)
None
 1.27A 3bj8C-3tscA:
1.2
3bj8D-3tscA:
undetectable		 3bj8C-3tscA:
19.00
3bj8D-3tscA:
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.
3uor ABC TRANSPORTER
SUGAR BINDING
PROTEIN

(Xanthomonas
citri) 		PF13416
(SBP_bac_8) 		4 ASP A  99
LEU A 101
LEU A  73
HIS A  69
 None
 1.05A 3bj8C-3uorA:
undetectable
3bj8D-3uorA:
undetectable		 3bj8C-3uorA:
15.98
3bj8D-3uorA:
15.98
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.
3ups IOJAP-LIKE PROTEIN

(Zymomonas
mobilis) 		PF02410
(RsfS) 		4 ASP A  97
LEU A  40
ASP A  94
LEU A  92
 None
 1.00A 3bj8C-3upsA:
undetectable
3bj8D-3upsA:
undetectable		 3bj8C-3upsA:
21.69
3bj8D-3upsA:
21.69
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ASP A  80
LEU A  87
ASP A  38
LEU A  60
 NAD  A 300 (-3.4A)
None
NAD  A 300 (-2.8A)
None
 1.24A 3bj8C-3uveA:
undetectable
3bj8D-3uveA:
undetectable		 3bj8C-3uveA:
20.57
3bj8D-3uveA:
20.57
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ASP A3074
LEU A3014
LEU A3091
HIS A3011
 None
 1.24A 3bj8C-3vkgA:
undetectable
3bj8D-3vkgA:
undetectable		 3bj8C-3vkgA:
4.18
3bj8D-3vkgA:
4.18
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 501
LEU A 388
LEU A 495
HIS A 493
 None
None
None
CU  A 602 ( 3.2A)
 1.03A 3bj8C-4akoA:
undetectable
3bj8D-4akoA:
undetectable		 3bj8C-4akoA:
14.90
3bj8D-4akoA:
14.90
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ASP C 319
LEU C 316
ASP C 322
LEU C 323
 None
 1.25A 3bj8C-4b3iC:
0.0
3bj8D-4b3iC:
undetectable		 3bj8C-4b3iC:
18.57
3bj8D-4b3iC:
18.57
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ASP C 193
LEU C 214
LEU C  71
HIS C 139
 None
 1.23A 3bj8C-4bujC:
undetectable
3bj8D-4bujC:
undetectable		 3bj8C-4bujC:
19.49
3bj8D-4bujC:
19.49
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.
4dim PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Anaerococcus
prevotii) 		PF01071
(GARS_A) 		4 ASP A  78
LEU A 273
LEU A 282
HIS A 210
 None
 1.23A 3bj8C-4dimA:
undetectable
3bj8D-4dimA:
undetectable		 3bj8C-4dimA:
18.46
3bj8D-4dimA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmc RORF2

(Escherichia
coli) 		PF06872
(EspG) 		4 LEU A 140
ASP A 146
LEU A 183
HIS A 148
 None
 1.09A 3bj8C-4fmcA:
undetectable
3bj8D-4fmcA:
undetectable		 3bj8C-4fmcA:
17.19
3bj8D-4fmcA:
17.19
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ASP A 201
LEU A 210
LEU A 390
HIS A 355
 None
 0.94A 3bj8C-4hv4A:
undetectable
3bj8D-4hv4A:
undetectable		 3bj8C-4hv4A:
16.50
3bj8D-4hv4A:
16.50
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.
4i5v 5',5'''-P-1,P-4-TETR
APHOSPHATE
PHOSPHORYLASE 2

(Saccharomyces
cerevisiae) 		PF09830
(ATP_transf) 		4 ASP A  35
LEU A 307
ASP A 196
LEU A 178
 None
 1.25A 3bj8C-4i5vA:
undetectable
3bj8D-4i5vA:
undetectable		 3bj8C-4i5vA:
20.66
3bj8D-4i5vA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 LEU A 657
ASP A 699
LEU A 702
TRP A 389
 None
 1.10A 3bj8C-4iglA:
undetectable
3bj8D-4iglA:
undetectable		 3bj8C-4iglA:
8.64
3bj8D-4iglA:
8.64
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.
4l1g PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		PF01522
(Polysacc_deac_1) 		4 ASP A  80
LEU A 106
LEU A  95
HIS A 126
 ACT  A 302 (-3.8A)
None
None
None
 1.22A 3bj8C-4l1gA:
undetectable
3bj8D-4l1gA:
undetectable		 3bj8C-4l1gA:
20.29
3bj8D-4l1gA:
20.29
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.
4ljs PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		4 ASP A 262
LEU A 214
ASP A 242
HIS A 228
 None
 1.27A 3bj8C-4ljsA:
undetectable
3bj8D-4ljsA:
undetectable		 3bj8C-4ljsA:
17.85
3bj8D-4ljsA:
17.85
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.
4m4z SRC-LIKE-ADAPTER 2

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		4 LEU A 132
ASP A 182
LEU A 164
HIS A 175
 None
 1.18A 3bj8C-4m4zA:
undetectable
3bj8D-4m4zA:
undetectable		 3bj8C-4m4zA:
25.53
3bj8D-4m4zA:
25.53
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.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		4 ASP A 157
LEU A 162
ASP A 151
LEU A 122
 None
 1.19A 3bj8C-4mupA:
undetectable
3bj8D-4mupA:
undetectable		 3bj8C-4mupA:
18.01
3bj8D-4mupA:
18.01
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.
4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00007
(Cys_knot)
PF13416
(SBP_bac_8) 		4 ASP A  16
LEU A  45
LEU A  22
TRP A  64
 MAL  A1201 (-3.0A)
None
None
MAL  A1201 (-4.3A)
 1.27A 3bj8C-4my2A:
undetectable
3bj8D-4my2A:
undetectable		 3bj8C-4my2A:
16.81
3bj8D-4my2A:
16.81
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.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		4 ASP A  66
LEU A  60
ASP A  92
HIS A 116
 None
None
MLZ  A  35 ( 3.8A)
BR  A 411 (-4.3A)
 1.15A 3bj8C-4p98A:
undetectable
3bj8D-4p98A:
undetectable		 3bj8C-4p98A:
19.63
3bj8D-4p98A:
19.63
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.
4ph6 3-DEHYDROQUINATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF01487
(DHquinase_I) 		4 ASP A  41
LEU A 242
ASP A  43
LEU A  44
 None
 0.96A 3bj8C-4ph6A:
undetectable
3bj8D-4ph6A:
undetectable		 3bj8C-4ph6A:
21.40
3bj8D-4ph6A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 ASP A 459
LEU A 456
ASP A 361
HIS A 435
 None
 1.07A 3bj8C-4wn9A:
undetectable
3bj8D-4wn9A:
undetectable		 3bj8C-4wn9A:
16.28
3bj8D-4wn9A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cgz 4-OXALMESACONATE
HYDRATASE

(Pseudomonas
putida) 		PF02585
(PIG-L) 		4 ASP A  17
LEU A  41
LEU A 119
HIS A 132
 ZN  A 301 (-2.2A)
None
None
None
 1.25A 3bj8C-5cgzA:
undetectable
3bj8D-5cgzA:
undetectable		 3bj8C-5cgzA:
18.60
3bj8D-5cgzA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ASP A 254
LEU A 282
ASP A 234
TRP A 274
 SAH  A 401 (-3.5A)
None
SAH  A 401 (-2.8A)
None
 0.99A 3bj8C-5cvvA:
undetectable
3bj8D-5cvvA:
undetectable		 3bj8C-5cvvA:
20.70
3bj8D-5cvvA:
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.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		4 LEU A 194
LEU A 165
HIS A 177
TRP A 189
 None
 1.26A 3bj8C-5dj4A:
undetectable
3bj8D-5dj4A:
undetectable		 3bj8C-5dj4A:
16.84
3bj8D-5dj4A:
16.84
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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ASP A  84
LEU A  91
ASP A  46
LEU A  64
 NAD  A 300 (-3.3A)
None
NAD  A 300 (-2.7A)
None
 1.20A 3bj8C-5ej2A:
undetectable
3bj8D-5ej2A:
undetectable		 3bj8C-5ej2A:
18.59
3bj8D-5ej2A:
18.59
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.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		4 ASP F 289
LEU F 432
ASP F 255
LEU F 346
 None
 1.25A 3bj8C-5gjwF:
undetectable
3bj8D-5gjwF:
undetectable		 3bj8C-5gjwF:
9.35
3bj8D-5gjwF:
9.35
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		4 ASP A 279
LEU A 373
LEU A 334
HIS A 292
 None
 1.11A 3bj8C-5huuA:
undetectable
3bj8D-5huuA:
undetectable		 3bj8C-5huuA:
17.93
3bj8D-5huuA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ASP A 351
LEU A  89
ASP A 231
HIS A  11
 None
 1.09A 3bj8C-5kbpA:
undetectable
3bj8D-5kbpA:
undetectable		 3bj8C-5kbpA:
11.27
3bj8D-5kbpA:
11.27
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 4 ASP B 594
LEU B 550
LEU B 498
TRP B 521
 None
 0.87A 3bj8C-5kdjB:
undetectable
3bj8D-5kdjB:
undetectable		 3bj8C-5kdjB:
15.03
3bj8D-5kdjB:
15.03
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		4 ASP A 594
LEU A 550
LEU A 498
TRP A 521
 None
None
EDO  A1104 ( 4.1A)
None
 0.82A 3bj8C-5kdsA:
undetectable
3bj8D-5kdsA:
undetectable		 3bj8C-5kdsA:
14.72
3bj8D-5kdsA:
14.72
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 ASP A 653
LEU A 635
ASP A  63
LEU A  64
 None
 1.07A 3bj8C-5mqmA:
undetectable
3bj8D-5mqmA:
undetectable		 3bj8C-5mqmA:
10.33
3bj8D-5mqmA:
10.33
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.
5nc6 PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 4 ASP A  76
LEU A 101
LEU A  90
HIS A 121
 ACT  A 301 ( 3.5A)
None
None
None
 1.27A 3bj8C-5nc6A:
undetectable
3bj8D-5nc6A:
undetectable		 3bj8C-5nc6A:
23.29
3bj8D-5nc6A:
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ASP A2995
LEU A2935
LEU A3012
HIS A2932
 ADP  A4805 ( 4.6A)
None
None
None
 1.17A 3bj8C-5nugA:
undetectable
3bj8D-5nugA:
undetectable		 3bj8C-5nugA:
3.31
3bj8D-5nugA:
3.31
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 ASP B 158
LEU B 162
ASP B 188
LEU B 190
 None
 1.24A 3bj8C-5swiB:
undetectable
3bj8D-5swiB:
undetectable		 3bj8C-5swiB:
13.42
3bj8D-5swiB:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t86 CDIA TOXIN
CDII IMMUNITY
PROTEIN

(Escherichia
coli) 		no annotation 4 ASP A 177
LEU A 174
ASP A 201
LEU I   3
 None
None
ACT  A 304 (-3.0A)
None
 1.02A 3bj8C-5t86A:
undetectable
3bj8D-5t86A:
undetectable		 3bj8C-5t86A:
21.56
3bj8D-5t86A:
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.
5wxu 11S GLOBULIN

(Wrightia
tinctoria) 		no annotation 4 LEU A 385
ASP A  81
LEU A 186
TRP A  68
 None
 1.21A 3bj8C-5wxuA:
undetectable
3bj8D-5wxuA:
undetectable		 3bj8C-5wxuA:
19.19
3bj8D-5wxuA:
19.19
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.
5yo8 TETRAPRENYL-BETA-CUR
CUMENE SYNTHASE

(Bacillus
alcalophilus) 		no annotation 4 LEU A 311
ASP A 249
LEU A 246
HIS A 245
 None
 1.10A 3bj8C-5yo8A:
undetectable
3bj8D-5yo8A:
undetectable		 3bj8C-5yo8A:
16.98
3bj8D-5yo8A:
16.98
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 4 ASP A 232
ASP A 205
LEU A 203
TRP A 253
 SAH  A 501 (-3.5A)
SAH  A 501 (-2.9A)
None
None
 1.15A 3bj8C-6c5bA:
undetectable
3bj8D-6c5bA:
undetectable		 3bj8C-6c5bA:
18.13
3bj8D-6c5bA:
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.
6c5d LLAJI.R1

(Helicobacter
pylori) 		no annotation 4 ASP A   9
LEU A  13
ASP A  88
LEU A 108
 None
 1.20A 3bj8C-6c5dA:
undetectable
3bj8D-6c5dA:
undetectable		 3bj8C-6c5dA:
19.51
3bj8D-6c5dA:
19.51
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.
6ek7 YAXA

(Yersinia
enterocolitica) 		no annotation 4 ASP A 328
LEU A  63
LEU A 204
HIS A  99
 None
 1.18A 3bj8C-6ek7A:
undetectable
3bj8D-6ek7A:
undetectable		 3bj8C-6ek7A:
20.50
3bj8D-6ek7A:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A1845
ASP A1840
LEU A1762
HIS A1758
 None
 1.27A 3bj8C-6emkA:
undetectable
3bj8D-6emkA:
undetectable		 3bj8C-6emkA:
17.50
3bj8D-6emkA:
17.50