SIMILAR PATTERNS OF AMINO ACIDS FOR 5CDQ_V_MFXV2101_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.
1ct9 ASPARAGINE
SYNTHETASE B

(Escherichia
coli) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 SER A 333
ARG A  28
GLY A  31
GLU A  48
 None
 1.02A 5cdqR-1ct9A:
0.0
5cdqS-1ct9A:
undetectable
5cdqT-1ct9A:
undetectable		 5cdqR-1ct9A:
22.07
5cdqS-1ct9A:
16.43
5cdqT-1ct9A:
22.07
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.
1esc ESTERASE

(Streptomyces
scabiei) 		PF13472
(Lipase_GDSL_2) 		4 ARG A 160
GLY A 162
GLU A 164
ARG A 226
 None
 1.17A 5cdqR-1escA:
undetectable
5cdqS-1escA:
1.1
5cdqT-1escA:
undetectable		 5cdqR-1escA:
20.29
5cdqS-1escA:
18.82
5cdqT-1escA:
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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		4 SER A  72
ARG A  53
GLY A  49
GLU A  39
 None
 1.16A 5cdqR-1f2dA:
0.0
5cdqS-1f2dA:
undetectable
5cdqT-1f2dA:
0.0		 5cdqR-1f2dA:
22.80
5cdqS-1f2dA:
19.88
5cdqT-1f2dA:
22.80
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.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 SER A 129
GLY A 199
GLU A 102
ARG A 131
 DPM  A 315 (-2.7A)
DPM  A 315 (-4.3A)
None
DPM  A 315 (-4.0A)
 1.10A 5cdqR-1gtkA:
0.1
5cdqS-1gtkA:
undetectable
5cdqT-1gtkA:
0.7		 5cdqR-1gtkA:
21.56
5cdqS-1gtkA:
20.49
5cdqT-1gtkA:
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 602
ARG A 174
GLY A 175
GLU A 507
 None
 0.90A 5cdqR-1h17A:
0.6
5cdqS-1h17A:
0.8
5cdqT-1h17A:
0.0		 5cdqR-1h17A:
20.37
5cdqS-1h17A:
13.96
5cdqT-1h17A:
20.37
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.
1iz1 LYSR-TYPE REGULATORY
PROTEIN

(Cupriavidus
necator) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		4 SER A 123
GLY A 135
GLU A 134
ARG A  77
 None
 1.03A 5cdqR-1iz1A:
1.1
5cdqS-1iz1A:
undetectable
5cdqT-1iz1A:
1.1		 5cdqR-1iz1A:
19.34
5cdqS-1iz1A:
22.22
5cdqT-1iz1A:
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.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 SER A 347
ARG A  62
GLY A  58
GLU A  59
 None
 0.83A 5cdqR-1jctA:
undetectable
5cdqS-1jctA:
undetectable
5cdqT-1jctA:
0.0		 5cdqR-1jctA:
21.69
5cdqS-1jctA:
19.86
5cdqT-1jctA:
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.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 SER A  29
ARG A 112
GLY A 111
GLU A  98
 None
 1.16A 5cdqR-1pciA:
undetectable
5cdqS-1pciA:
undetectable
5cdqT-1pciA:
undetectable		 5cdqR-1pciA:
20.52
5cdqS-1pciA:
19.93
5cdqT-1pciA:
20.52
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		4 SER A  38
ARG A  97
GLY A 239
GLU A 101
 None
 0.98A 5cdqR-1t3iA:
0.9
5cdqS-1t3iA:
0.6
5cdqT-1t3iA:
1.1		 5cdqR-1t3iA:
22.37
5cdqS-1t3iA:
18.81
5cdqT-1t3iA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 SER A 728
ARG A 300
GLU A 326
ARG A 750
 None
 1.16A 5cdqR-1v7vA:
undetectable
5cdqS-1v7vA:
undetectable
5cdqT-1v7vA:
undetectable		 5cdqR-1v7vA:
19.85
5cdqS-1v7vA:
14.14
5cdqT-1v7vA:
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.
1v9a UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 115
ARG A  92
GLY A  93
GLU A  95
 SAH  A 501 (-2.6A)
None
None
None
 0.98A 5cdqR-1v9aA:
undetectable
5cdqS-1v9aA:
2.7
5cdqT-1v9aA:
undetectable		 5cdqR-1v9aA:
19.11
5cdqS-1v9aA:
22.69
5cdqT-1v9aA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		4 ARG A 231
GLY A 230
GLU A 228
ARG A 285
 None
 0.89A 5cdqR-1vaxA:
undetectable
5cdqS-1vaxA:
undetectable
5cdqT-1vaxA:
undetectable		 5cdqR-1vaxA:
21.07
5cdqS-1vaxA:
21.50
5cdqT-1vaxA:
21.07
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.
1ve2 UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 117
ARG A  94
GLY A  95
GLU A  97
 None
 1.09A 5cdqR-1ve2A:
undetectable
5cdqS-1ve2A:
2.4
5cdqT-1ve2A:
undetectable		 5cdqR-1ve2A:
19.67
5cdqS-1ve2A:
21.99
5cdqT-1ve2A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdj HYPOTHETICAL PROTEIN
TT1808

(Thermus
thermophilus) 		PF05685
(Uma2) 		4 SER A  84
ARG A  48
GLY A  46
GLU A  44
 None
 1.01A 5cdqR-1wdjA:
undetectable
5cdqS-1wdjA:
undetectable
5cdqT-1wdjA:
undetectable		 5cdqR-1wdjA:
18.53
5cdqS-1wdjA:
23.85
5cdqT-1wdjA:
18.53
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 SER A 182
ARG A 203
GLY A 208
GLU A 209
 None
 1.18A 5cdqR-1wu7A:
undetectable
5cdqS-1wu7A:
undetectable
5cdqT-1wu7A:
3.0		 5cdqR-1wu7A:
22.65
5cdqS-1wu7A:
20.65
5cdqT-1wu7A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr7 ATP(GTP)BINDING
PROTEIN

(Pyrococcus
abyssi) 		PF03029
(ATP_bind_1) 		4 SER A  47
ARG A  22
GLY A  18
GLU A  19
 None
 1.07A 5cdqR-1yr7A:
undetectable
5cdqS-1yr7A:
1.8
5cdqT-1yr7A:
undetectable		 5cdqR-1yr7A:
20.37
5cdqS-1yr7A:
21.57
5cdqT-1yr7A:
20.37
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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 SER H 297
ARG H 260
GLY H 234
GLU H 253
 None
 1.01A 5cdqR-2bbkH:
undetectable
5cdqS-2bbkH:
undetectable
5cdqT-2bbkH:
undetectable		 5cdqR-2bbkH:
22.09
5cdqS-2bbkH:
18.16
5cdqT-2bbkH:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1w ENDOU PROTEIN

(Xenopus laevis) 		PF09412
(XendoU) 		4 SER A 157
ARG A 271
GLY A 273
ARG A 149
 None
None
None
PO4  A1290 (-3.5A)
 1.16A 5cdqR-2c1wA:
undetectable
5cdqS-2c1wA:
undetectable
5cdqT-2c1wA:
undetectable		 5cdqR-2c1wA:
20.84
5cdqS-2c1wA:
21.21
5cdqT-2c1wA:
20.84
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		4 ARG A 301
GLY A 252
GLU A 225
ARG A 305
 None
 1.11A 5cdqR-2ftwA:
undetectable
5cdqS-2ftwA:
undetectable
5cdqT-2ftwA:
undetectable		 5cdqR-2ftwA:
21.57
5cdqS-2ftwA:
16.48
5cdqT-2ftwA:
21.57
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.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 ARG A  89
GLY A  79
GLU A  78
ARG A  82
 None
 0.94A 5cdqR-2fwvA:
undetectable
5cdqS-2fwvA:
undetectable
5cdqT-2fwvA:
undetectable		 5cdqR-2fwvA:
19.96
5cdqS-2fwvA:
22.32
5cdqT-2fwvA:
19.96
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.
2gw3 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		4 SER A   2
ARG A  66
GLY A  36
GLU A 212
 None
CR8  A  63 ( 3.0A)
None
CR8  A  63 ( 3.6A)
 1.18A 5cdqR-2gw3A:
undetectable
5cdqS-2gw3A:
undetectable
5cdqT-2gw3A:
undetectable		 5cdqR-2gw3A:
21.81
5cdqS-2gw3A:
24.90
5cdqT-2gw3A:
21.81
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.
2hi6 UPF0107 PROTEIN
AF0055

(Archaeoglobus
fulgidus) 		PF01989
(DUF126) 		4 ARG A  51
GLY A  15
GLU A  16
ARG A  72
 None
 1.17A 5cdqR-2hi6A:
undetectable
5cdqS-2hi6A:
undetectable
5cdqT-2hi6A:
undetectable		 5cdqR-2hi6A:
14.80
5cdqS-2hi6A:
22.66
5cdqT-2hi6A:
14.80
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.
2j0j FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF00373
(FERM_M)
PF07714
(Pkinase_Tyr) 		4 SER A 239
ARG A 229
GLY A 185
GLU A 189
 None
 1.07A 5cdqR-2j0jA:
2.5
5cdqS-2j0jA:
undetectable
5cdqT-2j0jA:
undetectable		 5cdqR-2j0jA:
23.68
5cdqS-2j0jA:
16.04
5cdqT-2j0jA:
23.68
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.
2lst THIOREDOXIN

(Thermus
thermophilus) 		PF13899
(Thioredoxin_7) 		4 ARG A  97
GLY A  96
GLU A  94
ARG A 102
 None
 0.99A 5cdqR-2lstA:
undetectable
5cdqS-2lstA:
undetectable
5cdqT-2lstA:
undetectable		 5cdqR-2lstA:
13.32
5cdqS-2lstA:
16.58
5cdqT-2lstA:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owm RELATED TO
KINESIN-LIKE PROTEIN
KIF1C

(Neurospora
crassa) 		PF00225
(Kinesin) 		4 SER A 106
ARG A  41
GLY A 125
GLU A 127
 ADP  A1002 (-4.7A)
None
None
None
 1.15A 5cdqR-2owmA:
undetectable
5cdqS-2owmA:
undetectable
5cdqT-2owmA:
undetectable		 5cdqR-2owmA:
22.90
5cdqS-2owmA:
17.12
5cdqT-2owmA:
22.90
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.
2pka KALLIKREIN A

(Sus scrofa) 		PF00089
(Trypsin) 		4 SER B 110
ARG A  70
GLY A  69
GLU A  77
 None
 1.14A 5cdqR-2pkaB:
undetectable
5cdqS-2pkaB:
undetectable
5cdqT-2pkaB:
undetectable		 5cdqR-2pkaB:
14.74
5cdqS-2pkaB:
22.96
5cdqT-2pkaB:
14.74
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.
2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 SER A 136
ARG A 164
GLY A 162
GLU A 160
ARG A 168
 None
 1.44A 5cdqR-2pvsA:
undetectable
5cdqS-2pvsA:
3.1
5cdqT-2pvsA:
undetectable		 5cdqR-2pvsA:
21.04
5cdqS-2pvsA:
17.63
5cdqT-2pvsA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 0.94A 5cdqR-2q0xA:
undetectable
5cdqS-2q0xA:
3.5
5cdqT-2q0xA:
undetectable		 5cdqR-2q0xA:
20.89
5cdqS-2q0xA:
20.94
5cdqT-2q0xA:
20.89
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 SER A 478
ARG A1125
GLY A1116
GLU A 866
 None
 1.01A 5cdqR-2vdcA:
undetectable
5cdqS-2vdcA:
undetectable
5cdqT-2vdcA:
3.3		 5cdqR-2vdcA:
15.83
5cdqS-2vdcA:
8.49
5cdqT-2vdcA:
15.83
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 SER A 185
ARG A 122
GLY A 105
GLU A 106
 None
 1.13A 5cdqR-2vn7A:
undetectable
5cdqS-2vn7A:
undetectable
5cdqT-2vn7A:
undetectable		 5cdqR-2vn7A:
19.55
5cdqS-2vn7A:
15.53
5cdqT-2vn7A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsx EUKARYOTIC
INITIATION FACTOR 4F
SUBUNIT P150

(Saccharomyces
cerevisiae) 		PF02854
(MIF4G) 		4 SER E 786
ARG E 847
GLY E 795
GLU E 799
 None
 1.04A 5cdqR-2vsxE:
undetectable
5cdqS-2vsxE:
undetectable
5cdqT-2vsxE:
undetectable		 5cdqR-2vsxE:
21.35
5cdqS-2vsxE:
19.18
5cdqT-2vsxE:
21.35
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 SER A 542
GLY A 600
GLU A 588
ARG A 351
 None
 1.04A 5cdqR-2wzsA:
2.4
5cdqS-2wzsA:
undetectable
5cdqT-2wzsA:
undetectable		 5cdqR-2wzsA:
20.11
5cdqS-2wzsA:
13.89
5cdqT-2wzsA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
BOG  A1320 (-3.1A)
None
BOG  A1320 (-3.6A)
 0.96A 5cdqR-2xh6A:
undetectable
5cdqS-2xh6A:
undetectable
5cdqT-2xh6A:
undetectable		 5cdqR-2xh6A:
20.41
5cdqS-2xh6A:
20.44
5cdqT-2xh6A:
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		4 SER A 427
GLY A 390
GLU A 109
ARG A 236
 None
 1.01A 5cdqR-2xhgA:
2.6
5cdqS-2xhgA:
undetectable
5cdqT-2xhgA:
2.5		 5cdqR-2xhgA:
22.06
5cdqS-2xhgA:
21.14
5cdqT-2xhgA:
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER A1084
ARG A 418
GLY A 419
GLU A 437
 MG  A1504 ( 3.8A)
None
None
None
 0.98A 5cdqR-2xkkA:
49.0
5cdqS-2xkkA:
23.5
5cdqT-2xkkA:
49.6		 5cdqR-2xkkA:
29.33
5cdqS-2xkkA:
17.64
5cdqT-2xkkA:
29.33
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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		4 SER A 255
ARG A 226
GLU A 298
ARG A 197
 None
 0.85A 5cdqR-2zqqA:
undetectable
5cdqS-2zqqA:
undetectable
5cdqT-2zqqA:
undetectable		 5cdqR-2zqqA:
21.89
5cdqS-2zqqA:
23.27
5cdqT-2zqqA:
21.89
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.
3ckn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00535
(Glycos_transf_2) 		4 ARG A 320
GLY A 120
GLU A 121
ARG A 285
 SO4  A 331 (-3.0A)
None
None
None
 1.14A 5cdqR-3cknA:
undetectable
5cdqS-3cknA:
undetectable
5cdqT-3cknA:
undetectable		 5cdqR-3cknA:
23.05
5cdqS-3cknA:
24.32
5cdqT-3cknA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		4 SER A 174
ARG A 131
GLY A 132
GLU A 135
 None
 1.07A 5cdqR-3f4kA:
undetectable
5cdqS-3f4kA:
undetectable
5cdqT-3f4kA:
undetectable		 5cdqR-3f4kA:
20.58
5cdqS-3f4kA:
21.43
5cdqT-3f4kA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 SER A 288
ARG A 293
GLY A 295
GLU A 279
 None
 1.05A 5cdqR-3g0tA:
undetectable
5cdqS-3g0tA:
undetectable
5cdqT-3g0tA:
undetectable		 5cdqR-3g0tA:
22.63
5cdqS-3g0tA:
18.30
5cdqT-3g0tA:
22.63
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ARG A 189
GLY A 187
GLU A 172
ARG A 457
 None
 1.13A 5cdqR-3ibrA:
undetectable
5cdqS-3ibrA:
undetectable
5cdqT-3ibrA:
undetectable		 5cdqR-3ibrA:
22.38
5cdqS-3ibrA:
16.70
5cdqT-3ibrA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		4 SER A  97
ARG A 121
GLY A 112
GLU A 279
 None
 1.10A 5cdqR-3l4dA:
1.6
5cdqS-3l4dA:
undetectable
5cdqT-3l4dA:
1.7		 5cdqR-3l4dA:
21.90
5cdqS-3l4dA:
17.62
5cdqT-3l4dA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 SER A 385
ARG A 337
GLY A 375
GLU A 347
 None
 1.18A 5cdqR-3mruA:
undetectable
5cdqS-3mruA:
2.6
5cdqT-3mruA:
undetectable		 5cdqR-3mruA:
22.41
5cdqS-3mruA:
16.63
5cdqT-3mruA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mst PUTATIVE NITRATE
TRANSPORT PROTEIN

(Thermoplasma
volcanium) 		PF12916
(DUF3834) 		4 SER A 140
ARG A 130
GLU A  68
ARG A 128
 UNL  A 226 (-2.9A)
None
None
CL  A 227 (-2.7A)
 1.12A 5cdqR-3mstA:
undetectable
5cdqS-3mstA:
undetectable
5cdqT-3mstA:
undetectable		 5cdqR-3mstA:
20.49
5cdqS-3mstA:
21.57
5cdqT-3mstA:
20.49
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.
3nvq SEMAPHORIN-7A

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2) 		4 SER A  84
ARG A 136
GLY A 139
GLU A 138
 None
 0.93A 5cdqR-3nvqA:
undetectable
5cdqS-3nvqA:
undetectable
5cdqT-3nvqA:
undetectable		 5cdqR-3nvqA:
21.50
5cdqS-3nvqA:
15.60
5cdqT-3nvqA:
21.50
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 SER B 734
GLY B 301
GLU B 303
ARG B 223
 None
 1.18A 5cdqR-3ohmB:
undetectable
5cdqS-3ohmB:
undetectable
5cdqT-3ohmB:
undetectable		 5cdqR-3ohmB:
19.96
5cdqS-3ohmB:
12.57
5cdqT-3ohmB:
19.96
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		4 SER A 363
ARG A  62
GLY A  58
GLU A  59
 None
 1.01A 5cdqR-3p0wA:
undetectable
5cdqS-3p0wA:
undetectable
5cdqT-3p0wA:
undetectable		 5cdqR-3p0wA:
23.96
5cdqS-3p0wA:
20.55
5cdqT-3p0wA:
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		4 SER A 210
ARG A 179
GLU A 130
ARG A 198
 None
 0.98A 5cdqR-3p7nA:
undetectable
5cdqS-3p7nA:
undetectable
5cdqT-3p7nA:
undetectable		 5cdqR-3p7nA:
22.53
5cdqS-3p7nA:
22.18
5cdqT-3p7nA:
22.53
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.
3pmm PUTATIVE CYTOPLASMIC
PROTEIN

(Klebsiella
pneumoniae) 		PF07470
(Glyco_hydro_88) 		4 SER A 134
ARG A  97
GLY A 101
GLU A 100
 None
None
FMT  A 386 (-4.4A)
None
 1.08A 5cdqR-3pmmA:
undetectable
5cdqS-3pmmA:
undetectable
5cdqT-3pmmA:
undetectable		 5cdqR-3pmmA:
20.53
5cdqS-3pmmA:
19.44
5cdqT-3pmmA:
20.53
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.
3qp4 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF03472
(Autoind_bind) 		4 SER A  79
ARG A 159
GLY A 138
GLU A 112
 None
 0.95A 5cdqR-3qp4A:
undetectable
5cdqS-3qp4A:
undetectable
5cdqT-3qp4A:
undetectable		 5cdqR-3qp4A:
15.47
5cdqS-3qp4A:
22.02
5cdqT-3qp4A:
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.
3qp5 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 SER A  79
ARG A 159
GLY A 138
GLU A 112
 None
 1.07A 5cdqR-3qp5A:
undetectable
5cdqS-3qp5A:
undetectable
5cdqT-3qp5A:
undetectable		 5cdqR-3qp5A:
19.46
5cdqS-3qp5A:
22.73
5cdqT-3qp5A:
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.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 SER A 297
ARG A 325
GLY A 328
GLU A 330
 None
 1.14A 5cdqR-3qqvA:
3.6
5cdqS-3qqvA:
undetectable
5cdqT-3qqvA:
undetectable		 5cdqR-3qqvA:
25.26
5cdqS-3qqvA:
19.78
5cdqT-3qqvA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 SER A  38
GLY A 129
GLU A 127
ARG A 200
 None
 1.11A 5cdqR-3texA:
undetectable
5cdqS-3texA:
undetectable
5cdqT-3texA:
undetectable		 5cdqR-3texA:
21.02
5cdqS-3texA:
14.22
5cdqT-3texA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 SER A1290
ARG A1338
GLY A1334
GLU A1335
 None
 1.08A 5cdqR-3u9wA:
1.4
5cdqS-3u9wA:
undetectable
5cdqT-3u9wA:
undetectable		 5cdqR-3u9wA:
22.27
5cdqS-3u9wA:
16.02
5cdqT-3u9wA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 SER A 179
ARG A 136
GLY A 278
GLU A 280
 None
 1.18A 5cdqR-3ufbA:
undetectable
5cdqS-3ufbA:
undetectable
5cdqT-3ufbA:
undetectable		 5cdqR-3ufbA:
22.98
5cdqS-3ufbA:
17.44
5cdqT-3ufbA:
22.98
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.
3vwc SERINE PROTEASE
INHIBITOR 1

(Coprinopsis
cinerea) 		PF16850
(Inhibitor_I66) 		4 SER A 104
ARG A 124
GLY A  70
GLU A 122
 None
 1.07A 5cdqR-3vwcA:
undetectable
5cdqS-3vwcA:
undetectable
5cdqT-3vwcA:
undetectable		 5cdqR-3vwcA:
13.65
5cdqS-3vwcA:
20.73
5cdqT-3vwcA:
13.65
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 4 SER A  75
ARG A  20
GLY A  19
GLU A 242
 None
 1.07A 5cdqR-3w9aA:
undetectable
5cdqS-3w9aA:
undetectable
5cdqT-3w9aA:
undetectable		 5cdqR-3w9aA:
16.94
5cdqS-3w9aA:
22.05
5cdqT-3w9aA:
16.94
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 SER A  58
ARG A 527
GLU A 455
ARG A 297
 B3P  A1560 ( 3.9A)
None
None
B3P  A1560 (-2.8A)
 1.09A 5cdqR-3zxlA:
undetectable
5cdqS-3zxlA:
undetectable
5cdqT-3zxlA:
undetectable		 5cdqR-3zxlA:
19.93
5cdqS-3zxlA:
14.34
5cdqT-3zxlA:
19.93
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 SER A 811
ARG A 615
GLY A 496
GLU A 611
 None
 1.12A 5cdqR-4c3hA:
5.1
5cdqS-4c3hA:
undetectable
5cdqT-4c3hA:
4.4		 5cdqR-4c3hA:
14.69
5cdqS-4c3hA:
8.35
5cdqT-4c3hA:
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 SER A  75
ARG A  44
GLY A  43
GLU A  41
 None
 0.97A 5cdqR-4fquA:
undetectable
5cdqS-4fquA:
undetectable
5cdqT-4fquA:
undetectable		 5cdqR-4fquA:
19.54
5cdqS-4fquA:
19.06
5cdqT-4fquA:
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 SER A  98
ARG A  44
GLY A  43
GLU A  41
 None
 0.95A 5cdqR-4fquA:
undetectable
5cdqS-4fquA:
undetectable
5cdqT-4fquA:
undetectable		 5cdqR-4fquA:
19.54
5cdqS-4fquA:
19.06
5cdqT-4fquA:
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.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		4 SER A 343
ARG A  58
GLY A  54
GLU A  55
 None
 0.78A 5cdqR-4g8tA:
undetectable
5cdqS-4g8tA:
undetectable
5cdqT-4g8tA:
undetectable		 5cdqR-4g8tA:
21.11
5cdqS-4g8tA:
20.67
5cdqT-4g8tA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 SER A 492
ARG A 335
GLY A 331
GLU A 332
 None
 1.16A 5cdqR-4gaaA:
undetectable
5cdqS-4gaaA:
undetectable
5cdqT-4gaaA:
undetectable		 5cdqR-4gaaA:
22.14
5cdqS-4gaaA:
14.85
5cdqT-4gaaA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htg PORPHOBILINOGEN
DEAMINASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 SER A 140
GLY A 211
GLU A 113
ARG A 142
 18W  A 401 (-2.5A)
None
None
18W  A 401 (-3.8A)
 1.09A 5cdqR-4htgA:
undetectable
5cdqS-4htgA:
undetectable
5cdqT-4htgA:
undetectable		 5cdqR-4htgA:
22.07
5cdqS-4htgA:
22.97
5cdqT-4htgA:
22.07
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 SER A 265
ARG A 170
GLY A 169
GLU A 127
 None
 1.16A 5cdqR-4jyjA:
undetectable
5cdqS-4jyjA:
undetectable
5cdqT-4jyjA:
undetectable		 5cdqR-4jyjA:
21.81
5cdqS-4jyjA:
23.29
5cdqT-4jyjA:
21.81
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ARG A 418
GLY A 417
GLU A 389
ARG A 335
 TRS  A 601 ( 3.3A)
None
GOL  A 602 (-3.0A)
None
 1.18A 5cdqR-4m8uA:
undetectable
5cdqS-4m8uA:
undetectable
5cdqT-4m8uA:
undetectable		 5cdqR-4m8uA:
22.97
5cdqS-4m8uA:
17.39
5cdqT-4m8uA:
22.97
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.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 SER H 134
ARG H 168
GLY H 171
GLU H 174
 None
 0.83A 5cdqR-4nl4H:
undetectable
5cdqS-4nl4H:
undetectable
5cdqT-4nl4H:
undetectable		 5cdqR-4nl4H:
21.76
5cdqS-4nl4H:
14.66
5cdqT-4nl4H:
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
 0.92A 5cdqR-4p5hA:
undetectable
5cdqS-4p5hA:
undetectable
5cdqT-4p5hA:
undetectable		 5cdqR-4p5hA:
21.83
5cdqS-4p5hA:
20.79
5cdqT-4p5hA:
21.83
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.
4ph6 3-DEHYDROQUINATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF01487
(DHquinase_I) 		4 ARG A  10
GLY A  14
GLU A  13
ARG A 243
 None
 1.13A 5cdqR-4ph6A:
undetectable
5cdqS-4ph6A:
undetectable
5cdqT-4ph6A:
undetectable		 5cdqR-4ph6A:
19.05
5cdqS-4ph6A:
19.78
5cdqT-4ph6A:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1085
ARG B 458
GLY B 459
GLU B 477
 None
 0.90A 5cdqR-4plbB:
57.4
5cdqS-4plbB:
30.5
5cdqT-4plbB:
57.5		 5cdqR-4plbB:
99.79
5cdqS-4plbB:
100.00
5cdqT-4plbB:
99.79
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		4 SER A 282
ARG A 259
GLY A 260
GLU A 262
 None
 1.13A 5cdqR-4pspA:
undetectable
5cdqS-4pspA:
undetectable
5cdqT-4pspA:
undetectable		 5cdqR-4pspA:
22.06
5cdqS-4pspA:
16.34
5cdqT-4pspA:
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 SER B 734
GLY B 301
GLU B 303
ARG B 223
 None
 1.17A 5cdqR-4qj4B:
undetectable
5cdqS-4qj4B:
undetectable
5cdqT-4qj4B:
undetectable		 5cdqR-4qj4B:
19.33
5cdqS-4qj4B:
13.83
5cdqT-4qj4B:
19.33
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		4 SER A 165
ARG A 254
GLY A 252
GLU A 250
 None
 1.18A 5cdqR-4qlbA:
4.0
5cdqS-4qlbA:
undetectable
5cdqT-4qlbA:
undetectable		 5cdqR-4qlbA:
21.72
5cdqS-4qlbA:
14.96
5cdqT-4qlbA:
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A 188
GLY A 187
GLU A 186
ARG A  11
 None
GOL  A 404 ( 3.7A)
None
None
 0.96A 5cdqR-4ubtA:
undetectable
5cdqS-4ubtA:
undetectable
5cdqT-4ubtA:
undetectable		 5cdqR-4ubtA:
24.25
5cdqS-4ubtA:
20.87
5cdqT-4ubtA:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyq RISC-LOADING COMPLEX
SUBUNIT TARBP2

(Homo sapiens) 		PF16482
(Staufen_C) 		4 SER B 302
ARG B 353
GLY B 349
GLU B 350
 None
 1.11A 5cdqR-4wyqB:
undetectable
5cdqS-4wyqB:
undetectable
5cdqT-4wyqB:
undetectable		 5cdqR-4wyqB:
10.73
5cdqS-4wyqB:
17.01
5cdqT-4wyqB:
10.73
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 SER A 139
ARG A 246
GLY A 244
GLU A  64
 None
 1.13A 5cdqR-5ah4A:
undetectable
5cdqS-5ah4A:
undetectable
5cdqT-5ah4A:
undetectable		 5cdqR-5ah4A:
22.82
5cdqS-5ah4A:
19.75
5cdqT-5ah4A:
22.82
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.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 SER A 208
ARG A 248
GLY A 396
GLU A 252
 None
 0.89A 5cdqR-5c65A:
1.3
5cdqS-5c65A:
undetectable
5cdqT-5c65A:
undetectable		 5cdqR-5c65A:
22.54
5cdqS-5c65A:
16.77
5cdqT-5c65A:
22.54
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 SER A 280
ARG A 433
GLY A 436
GLU A 434
 None
 1.07A 5cdqR-5d9aA:
undetectable
5cdqS-5d9aA:
undetectable
5cdqT-5d9aA:
undetectable		 5cdqR-5d9aA:
23.77
5cdqS-5d9aA:
14.70
5cdqT-5d9aA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 SER A  10
ARG A  18
GLY A  17
GLU A  38
 None
 1.17A 5cdqR-5e6sA:
undetectable
5cdqS-5e6sA:
2.5
5cdqT-5e6sA:
undetectable		 5cdqR-5e6sA:
20.76
5cdqS-5e6sA:
12.06
5cdqT-5e6sA:
20.76
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.
5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		4 SER A  84
ARG A 177
GLY A 170
ARG A  24
 None
 1.18A 5cdqR-5h04A:
undetectable
5cdqS-5h04A:
undetectable
5cdqT-5h04A:
undetectable		 5cdqR-5h04A:
20.96
5cdqS-5h04A:
20.46
5cdqT-5h04A:
20.96
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 302
GLY A 336
GLU A 338
ARG A 235
 None
None
None
FLC  A 509 (-2.8A)
 1.16A 5cdqR-5hvfA:
undetectable
5cdqS-5hvfA:
undetectable
5cdqT-5hvfA:
undetectable		 5cdqR-5hvfA:
22.50
5cdqS-5hvfA:
18.50
5cdqT-5hvfA:
22.50
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ARG A 381
GLY A 379
GLU A 378
ARG A 363
 None
 1.01A 5cdqR-5i68A:
undetectable
5cdqS-5i68A:
undetectable
5cdqT-5i68A:
undetectable		 5cdqR-5i68A:
22.21
5cdqS-5i68A:
15.81
5cdqT-5i68A:
22.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1b WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF11816
(DUF3337) 		4 SER B 173
ARG B 272
GLY B 254
GLU B 253
 None
 1.18A 5cdqR-5k1bB:
undetectable
5cdqS-5k1bB:
undetectable
5cdqT-5k1bB:
undetectable		 5cdqR-5k1bB:
21.77
5cdqS-5k1bB:
16.41
5cdqT-5k1bB:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		4 ARG A 309
GLY A 308
GLU A 296
ARG A 314
 None
None
SF4  A 401 (-3.9A)
None
 1.16A 5cdqR-5kh0A:
undetectable
5cdqS-5kh0A:
2.3
5cdqT-5kh0A:
undetectable		 5cdqR-5kh0A:
24.95
5cdqS-5kh0A:
18.89
5cdqT-5kh0A:
24.95
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		4 SER A 322
ARG A 337
GLY A 336
GLU A 277
 None
 0.99A 5cdqR-5kkbA:
undetectable
5cdqS-5kkbA:
undetectable
5cdqT-5kkbA:
undetectable		 5cdqR-5kkbA:
22.92
5cdqS-5kkbA:
19.85
5cdqT-5kkbA:
22.92
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.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 4 SER A3526
GLY A3497
GLU A3214
ARG A3524
 None
 1.18A 5cdqR-5m6pA:
undetectable
5cdqS-5m6pA:
undetectable
5cdqT-5m6pA:
2.4		 5cdqR-5m6pA:
10.22
5cdqS-5m6pA:
13.99
5cdqT-5m6pA:
10.22
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.
5n03 GLUTACONATE
COA-TRANSFERASE
FAMILY, SUBUNIT B

(Myxococcus
xanthus) 		no annotation 4 SER D  70
ARG D  80
GLY D  58
GLU D  83
 None
 1.11A 5cdqR-5n03D:
undetectable
5cdqS-5n03D:
undetectable
5cdqT-5n03D:
undetectable		 5cdqR-5n03D:
21.19
5cdqS-5n03D:
21.65
5cdqT-5n03D:
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 ARG A 557
GLY A 402
GLU A 401
ARG A 537
 None
 0.94A 5cdqR-5n94A:
undetectable
5cdqS-5n94A:
3.2
5cdqT-5n94A:
undetectable		 5cdqR-5n94A:
11.44
5cdqS-5n94A:
18.13
5cdqT-5n94A:
11.44
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 SER A 177
ARG A 354
GLY A 355
GLU A 331
 None
 1.15A 5cdqR-5oe5A:
undetectable
5cdqS-5oe5A:
undetectable
5cdqT-5oe5A:
undetectable		 5cdqR-5oe5A:
21.71
5cdqS-5oe5A:
18.61
5cdqT-5oe5A:
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 189
GLY B 287
GLU B 288
ARG B 315
 None
 0.86A 5cdqR-5uz9B:
undetectable
5cdqS-5uz9B:
undetectable
5cdqT-5uz9B:
undetectable		 5cdqR-5uz9B:
24.58
5cdqS-5uz9B:
23.10
5cdqT-5uz9B:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj1 MDCA
MDCC

(Pseudomonas
aeruginosa;
Pseudomonas
protegens) 		PF06857
(ACP)
PF16957
(Mal_decarbox_Al) 		4 ARG C  86
GLY C  83
GLU A 466
ARG C  88
 None
 1.14A 5cdqR-5vj1C:
undetectable
5cdqS-5vj1C:
undetectable
5cdqT-5vj1C:
undetectable		 5cdqR-5vj1C:
12.45
5cdqS-5vj1C:
20.77
5cdqT-5vj1C:
12.45
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.
5wvr KLLA0C04147P

(Kluyveromyces
lactis) 		PF01237
(Oxysterol_BP) 		4 ARG A1203
GLY A1237
GLU A1236
ARG A1193
 None
 1.09A 5cdqR-5wvrA:
undetectable
5cdqS-5wvrA:
undetectable
5cdqT-5wvrA:
undetectable		 5cdqR-5wvrA:
21.43
5cdqS-5wvrA:
16.47
5cdqT-5wvrA:
21.43
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.
5xd6 PROTEIN KINASE
SUPERFAMILY PROTEIN

(Arabidopsis
thaliana) 		no annotation 4 SER A 221
ARG A  82
GLY A  78
GLU A  77
 None
None
ANP  A1000 (-3.3A)
None
 1.00A 5cdqR-5xd6A:
3.3
5cdqS-5xd6A:
undetectable
5cdqT-5xd6A:
2.2		 5cdqR-5xd6A:
12.74
5cdqS-5xd6A:
15.98
5cdqT-5xd6A:
12.74
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ARG B 240
GLY B 238
GLU B  52
ARG B 208
 None
 1.16A 5cdqR-5xogB:
undetectable
5cdqS-5xogB:
undetectable
5cdqT-5xogB:
undetectable		 5cdqR-5xogB:
18.56
5cdqS-5xogB:
11.20
5cdqT-5xogB:
18.56
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 4 SER A 378
ARG A 370
GLY A 163
GLU A 160
 None
 0.84A 5cdqR-5yl7A:
undetectable
5cdqS-5yl7A:
undetectable
5cdqT-5yl7A:
undetectable		 5cdqR-5yl7A:
10.78
5cdqS-5yl7A:
15.14
5cdqT-5yl7A:
10.78
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.
5yxa NON-STRUCTURAL
PROTEIN 1

(Yellow fever
virus) 		no annotation 4 SER A  33
ARG A  74
GLY A  77
GLU A  54
 None
 1.03A 5cdqR-5yxaA:
undetectable
5cdqS-5yxaA:
undetectable
5cdqT-5yxaA:
undetectable		 5cdqR-5yxaA:
10.45
5cdqS-5yxaA:
14.51
5cdqT-5yxaA:
10.45
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.
5z95 -

(-) 		no annotation 4 SER A  98
ARG A 229
GLY A 225
GLU A 226
 None
 0.95A 5cdqR-5z95A:
undetectable
5cdqS-5z95A:
3.0
5cdqT-5z95A:
undetectable		 5cdqR-5z95A:
undetectable
5cdqS-5z95A:
undetectable
5cdqT-5z95A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 4 SER A 242
GLY A 203
GLU A 207
ARG A 193
 None
 1.16A 5cdqR-6apgA:
undetectable
5cdqS-6apgA:
undetectable
5cdqT-6apgA:
undetectable		 5cdqR-6apgA:
11.06
5cdqS-6apgA:
17.53
5cdqT-6apgA:
11.06
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  38
ARG A 111
GLY A  92
GLU A  93
 EWM  A 301 (-2.7A)
None
None
None
 1.16A 5cdqR-6cc0A:
undetectable
5cdqS-6cc0A:
undetectable
5cdqT-6cc0A:
undetectable		 5cdqR-6cc0A:
9.96
5cdqS-6cc0A:
16.75
5cdqT-6cc0A:
9.96
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 SER A 219
ARG A 156
GLY A 139
GLU A 140
 None
 1.08A 5cdqR-6fhvA:
undetectable
5cdqS-6fhvA:
undetectable
5cdqT-6fhvA:
undetectable		 5cdqR-6fhvA:
10.82
5cdqS-6fhvA:
18.13
5cdqT-6fhvA:
10.82
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 SER A 209
ARG A 146
GLY A 129
GLU A 130
 None
 0.97A 5cdqR-6frvA:
undetectable
5cdqS-6frvA:
undetectable
5cdqT-6frvA:
undetectable		 5cdqR-6frvA:
12.36
5cdqS-6frvA:
23.53
5cdqT-6frvA:
12.36