SIMILAR PATTERNS OF AMINO ACIDS FOR 5CDQ_E_MFXE2101

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
 1.01A 5cdqA-1ct9A:
undetectable
5cdqB-1ct9A:
0.0
5cdqC-1ct9A:
undetectable		 5cdqA-1ct9A:
22.07
5cdqB-1ct9A:
16.43
5cdqC-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.
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 5cdqA-1f2dA:
0.0
5cdqB-1f2dA:
undetectable
5cdqC-1f2dA:
0.0		 5cdqA-1f2dA:
22.80
5cdqB-1f2dA:
19.88
5cdqC-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.
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
 1.15A 5cdqA-1iz1A:
1.7
5cdqB-1iz1A:
undetectable
5cdqC-1iz1A:
1.0		 5cdqA-1iz1A:
19.34
5cdqB-1iz1A:
22.22
5cdqC-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 5cdqA-1jctA:
0.0
5cdqB-1jctA:
undetectable
5cdqC-1jctA:
0.0		 5cdqA-1jctA:
21.69
5cdqB-1jctA:
19.86
5cdqC-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.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran) 		4 SER A 634
ARG A 503
GLY A 502
GLU A 677
 None
 1.12A 5cdqA-1mt0A:
undetectable
5cdqB-1mt0A:
undetectable
5cdqC-1mt0A:
undetectable		 5cdqA-1mt0A:
23.97
5cdqB-1mt0A:
22.05
5cdqC-1mt0A:
23.97
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.
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 5cdqA-1pciA:
undetectable
5cdqB-1pciA:
undetectable
5cdqC-1pciA:
undetectable		 5cdqA-1pciA:
20.52
5cdqB-1pciA:
19.93
5cdqC-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.
1qy9 HYPOTHETICAL PROTEIN
YDDE

(Escherichia
coli) 		PF02567
(PhzC-PhzF) 		4 ARG A 211
GLY A 256
GLU A 221
ARG A 202
 None
 1.14A 5cdqA-1qy9A:
undetectable
5cdqB-1qy9A:
undetectable
5cdqC-1qy9A:
undetectable		 5cdqA-1qy9A:
20.00
5cdqB-1qy9A:
22.48
5cdqC-1qy9A:
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		4 SER A  38
ARG A  97
GLY A 239
GLU A 101
 None
 0.97A 5cdqA-1t3iA:
0.8
5cdqB-1t3iA:
0.4
5cdqC-1t3iA:
0.1		 5cdqA-1t3iA:
22.37
5cdqB-1t3iA:
18.81
5cdqC-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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 ARG A 381
GLY A 382
GLU A 380
ARG A 395
 None
 0.97A 5cdqA-1uuoA:
undetectable
5cdqB-1uuoA:
0.3
5cdqC-1uuoA:
undetectable		 5cdqA-1uuoA:
21.46
5cdqB-1uuoA:
21.65
5cdqC-1uuoA:
21.46
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.
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
 0.99A 5cdqA-1v9aA:
undetectable
5cdqB-1v9aA:
2.8
5cdqC-1v9aA:
undetectable		 5cdqA-1v9aA:
19.11
5cdqB-1v9aA:
22.69
5cdqC-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
 0.80A 5cdqA-1vaxA:
undetectable
5cdqB-1vaxA:
undetectable
5cdqC-1vaxA:
undetectable		 5cdqA-1vaxA:
21.07
5cdqB-1vaxA:
21.50
5cdqC-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 5cdqA-1ve2A:
undetectable
5cdqB-1ve2A:
2.4
5cdqC-1ve2A:
undetectable		 5cdqA-1ve2A:
19.67
5cdqB-1ve2A:
21.99
5cdqC-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 5cdqA-1wdjA:
undetectable
5cdqB-1wdjA:
undetectable
5cdqC-1wdjA:
undetectable		 5cdqA-1wdjA:
18.53
5cdqB-1wdjA:
23.85
5cdqC-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 5cdqA-1wu7A:
undetectable
5cdqB-1wu7A:
undetectable
5cdqC-1wu7A:
undetectable		 5cdqA-1wu7A:
22.65
5cdqB-1wu7A:
20.65
5cdqC-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
 1.06A 5cdqA-1yr7A:
undetectable
5cdqB-1yr7A:
undetectable
5cdqC-1yr7A:
undetectable		 5cdqA-1yr7A:
20.37
5cdqB-1yr7A:
21.57
5cdqC-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 5cdqA-2bbkH:
undetectable
5cdqB-2bbkH:
undetectable
5cdqC-2bbkH:
undetectable		 5cdqA-2bbkH:
22.09
5cdqB-2bbkH:
18.16
5cdqC-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.
2e6e 5'-NUCLEOTIDASE SURE

(Thermus
thermophilus) 		PF01975
(SurE) 		4 ARG A   2
GLY A  27
GLU A  28
ARG A 157
 None
 1.12A 5cdqA-2e6eA:
undetectable
5cdqB-2e6eA:
2.0
5cdqC-2e6eA:
undetectable		 5cdqA-2e6eA:
21.19
5cdqB-2e6eA:
21.81
5cdqC-2e6eA:
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		4 ARG A 301
GLY A 252
GLU A 225
ARG A 305
 None
 1.12A 5cdqA-2ftwA:
undetectable
5cdqB-2ftwA:
1.4
5cdqC-2ftwA:
undetectable		 5cdqA-2ftwA:
21.57
5cdqB-2ftwA:
16.48
5cdqC-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
 0.93A 5cdqA-2fwvA:
undetectable
5cdqB-2fwvA:
undetectable
5cdqC-2fwvA:
undetectable		 5cdqA-2fwvA:
19.96
5cdqB-2fwvA:
22.32
5cdqC-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.
2hi6 UPF0107 PROTEIN
AF0055

(Archaeoglobus
fulgidus) 		PF01989
(DUF126) 		4 ARG A  51
GLY A  15
GLU A  16
ARG A  72
 None
 0.97A 5cdqA-2hi6A:
undetectable
5cdqB-2hi6A:
undetectable
5cdqC-2hi6A:
undetectable		 5cdqA-2hi6A:
14.80
5cdqB-2hi6A:
22.66
5cdqC-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.
2hi9 PLASMA SERINE
PROTEASE INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 SER A 252
ARG A 362
GLU A 281
ARG A 367
 None
 1.07A 5cdqA-2hi9A:
undetectable
5cdqB-2hi9A:
undetectable
5cdqC-2hi9A:
undetectable		 5cdqA-2hi9A:
21.15
5cdqB-2hi9A:
21.35
5cdqC-2hi9A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5cdqA-2j0jA:
2.8
5cdqB-2j0jA:
undetectable
5cdqC-2j0jA:
2.5		 5cdqA-2j0jA:
23.68
5cdqB-2j0jA:
16.04
5cdqC-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.
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
 1.16A 5cdqA-2owmA:
undetectable
5cdqB-2owmA:
undetectable
5cdqC-2owmA:
undetectable		 5cdqA-2owmA:
22.90
5cdqB-2owmA:
17.12
5cdqC-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
 1.15A 5cdqA-2pkaB:
undetectable
5cdqB-2pkaB:
undetectable
5cdqC-2pkaB:
undetectable		 5cdqA-2pkaB:
14.74
5cdqB-2pkaB:
22.96
5cdqC-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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 0.94A 5cdqA-2q0xA:
undetectable
5cdqB-2q0xA:
3.6
5cdqC-2q0xA:
undetectable		 5cdqA-2q0xA:
20.89
5cdqB-2q0xA:
20.94
5cdqC-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
 1.02A 5cdqA-2vdcA:
3.1
5cdqB-2vdcA:
undetectable
5cdqC-2vdcA:
2.9		 5cdqA-2vdcA:
15.83
5cdqB-2vdcA:
8.49
5cdqC-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
 1.14A 5cdqA-2vn7A:
undetectable
5cdqB-2vn7A:
undetectable
5cdqC-2vn7A:
undetectable		 5cdqA-2vn7A:
19.55
5cdqB-2vn7A:
15.53
5cdqC-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 5cdqA-2vsxE:
undetectable
5cdqB-2vsxE:
undetectable
5cdqC-2vsxE:
undetectable		 5cdqA-2vsxE:
21.35
5cdqB-2vsxE:
19.18
5cdqC-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
 1.18A 5cdqA-2wzsA:
2.6
5cdqB-2wzsA:
undetectable
5cdqC-2wzsA:
undetectable		 5cdqA-2wzsA:
20.11
5cdqB-2wzsA:
13.89
5cdqC-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)
 0.97A 5cdqA-2xh6A:
undetectable
5cdqB-2xh6A:
undetectable
5cdqC-2xh6A:
undetectable		 5cdqA-2xh6A:
20.41
5cdqB-2xh6A:
20.44
5cdqC-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
 0.94A 5cdqA-2xhgA:
2.6
5cdqB-2xhgA:
undetectable
5cdqC-2xhgA:
2.6		 5cdqA-2xhgA:
22.06
5cdqB-2xhgA:
21.14
5cdqC-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
 0.99A 5cdqA-2xkkA:
48.9
5cdqB-2xkkA:
23.8
5cdqC-2xkkA:
49.0		 5cdqA-2xkkA:
29.33
5cdqB-2xkkA:
17.64
5cdqC-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
 0.87A 5cdqA-2zqqA:
undetectable
5cdqB-2zqqA:
undetectable
5cdqC-2zqqA:
undetectable		 5cdqA-2zqqA:
21.89
5cdqB-2zqqA:
23.27
5cdqC-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.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 323
GLY A 321
GLU A 320
ARG A 329
 None
 1.09A 5cdqA-3b0hA:
3.5
5cdqB-3b0hA:
undetectable
5cdqC-3b0hA:
2.4		 5cdqA-3b0hA:
23.10
5cdqB-3b0hA:
15.67
5cdqC-3b0hA:
23.10
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		4 SER A 157
ARG A 207
GLY A 203
GLU A 204
 None
 1.18A 5cdqA-3bydA:
undetectable
5cdqB-3bydA:
undetectable
5cdqC-3bydA:
undetectable		 5cdqA-3bydA:
19.67
5cdqB-3bydA:
23.42
5cdqC-3bydA:
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.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		4 SER A  30
ARG A 158
GLU A 215
ARG A 164
 None
SO4  A 802 (-3.1A)
None
None
 1.17A 5cdqA-3ca8A:
undetectable
5cdqB-3ca8A:
2.7
5cdqC-3ca8A:
undetectable		 5cdqA-3ca8A:
19.29
5cdqB-3ca8A:
22.59
5cdqC-3ca8A:
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.
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
 1.12A 5cdqA-3cknA:
undetectable
5cdqB-3cknA:
undetectable
5cdqC-3cknA:
undetectable		 5cdqA-3cknA:
23.05
5cdqB-3cknA:
24.32
5cdqC-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 5cdqA-3f4kA:
undetectable
5cdqB-3f4kA:
undetectable
5cdqC-3f4kA:
undetectable		 5cdqA-3f4kA:
20.58
5cdqB-3f4kA:
21.43
5cdqC-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
 1.04A 5cdqA-3g0tA:
undetectable
5cdqB-3g0tA:
undetectable
5cdqC-3g0tA:
undetectable		 5cdqA-3g0tA:
22.63
5cdqB-3g0tA:
18.30
5cdqC-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
 1.12A 5cdqA-3ibrA:
undetectable
5cdqB-3ibrA:
undetectable
5cdqC-3ibrA:
undetectable		 5cdqA-3ibrA:
22.38
5cdqB-3ibrA:
16.70
5cdqC-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 5cdqA-3l4dA:
undetectable
5cdqB-3l4dA:
undetectable
5cdqC-3l4dA:
undetectable		 5cdqA-3l4dA:
21.90
5cdqB-3l4dA:
17.62
5cdqC-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.
3mcf DIPHOSPHOINOSITOL
POLYPHOSPHATE
PHOSPHOHYDROLASE
3-ALPHA

(Homo sapiens) 		PF00293
(NUDIX) 		4 SER A  39
GLY A  51
GLU A  53
ARG A 115
 FLC  A   0 (-3.0A)
None
None
FLC  A   0 (-3.1A)
 1.04A 5cdqA-3mcfA:
undetectable
5cdqB-3mcfA:
undetectable
5cdqC-3mcfA:
undetectable		 5cdqA-3mcfA:
14.14
5cdqB-3mcfA:
22.80
5cdqC-3mcfA:
14.14
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.
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 5cdqA-3mruA:
undetectable
5cdqB-3mruA:
2.6
5cdqC-3mruA:
undetectable		 5cdqA-3mruA:
22.41
5cdqB-3mruA:
16.63
5cdqC-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)
 1.07A 5cdqA-3mstA:
undetectable
5cdqB-3mstA:
undetectable
5cdqC-3mstA:
undetectable		 5cdqA-3mstA:
20.49
5cdqB-3mstA:
21.57
5cdqC-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
 0.94A 5cdqA-3nvqA:
undetectable
5cdqB-3nvqA:
undetectable
5cdqC-3nvqA:
undetectable		 5cdqA-3nvqA:
21.50
5cdqB-3nvqA:
15.60
5cdqC-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.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		4 ARG A 151
GLY A 150
GLU A 149
ARG A  86
 None
 1.08A 5cdqA-3o0kA:
undetectable
5cdqB-3o0kA:
undetectable
5cdqC-3o0kA:
undetectable		 5cdqA-3o0kA:
23.09
5cdqB-3o0kA:
21.74
5cdqC-3o0kA:
23.09
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.
3ol2 PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 SER B 241
ARG B 272
GLY B 270
GLU B 269
 None
 1.18A 5cdqA-3ol2B:
undetectable
5cdqB-3ol2B:
undetectable
5cdqC-3ol2B:
undetectable		 5cdqA-3ol2B:
20.04
5cdqB-3ol2B:
16.57
5cdqC-3ol2B:
20.04
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.
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 5cdqA-3p0wA:
undetectable
5cdqB-3p0wA:
undetectable
5cdqC-3p0wA:
undetectable		 5cdqA-3p0wA:
23.96
5cdqB-3p0wA:
20.55
5cdqC-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
 0.96A 5cdqA-3p7nA:
undetectable
5cdqB-3p7nA:
undetectable
5cdqC-3p7nA:
undetectable		 5cdqA-3p7nA:
22.53
5cdqB-3p7nA:
22.18
5cdqC-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
 1.07A 5cdqA-3pmmA:
undetectable
5cdqB-3pmmA:
undetectable
5cdqC-3pmmA:
undetectable		 5cdqA-3pmmA:
20.53
5cdqB-3pmmA:
19.44
5cdqC-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
 0.96A 5cdqA-3qp4A:
undetectable
5cdqB-3qp4A:
undetectable
5cdqC-3qp4A:
undetectable		 5cdqA-3qp4A:
15.47
5cdqB-3qp4A:
22.02
5cdqC-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 5cdqA-3qp5A:
undetectable
5cdqB-3qp5A:
undetectable
5cdqC-3qp5A:
undetectable		 5cdqA-3qp5A:
19.46
5cdqB-3qp5A:
22.73
5cdqC-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
 1.15A 5cdqA-3qqvA:
3.5
5cdqB-3qqvA:
undetectable
5cdqC-3qqvA:
3.5		 5cdqA-3qqvA:
25.26
5cdqB-3qqvA:
19.78
5cdqC-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
 1.17A 5cdqA-3texA:
undetectable
5cdqB-3texA:
undetectable
5cdqC-3texA:
undetectable		 5cdqA-3texA:
21.02
5cdqB-3texA:
14.22
5cdqC-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
 1.06A 5cdqA-3u9wA:
1.8
5cdqB-3u9wA:
undetectable
5cdqC-3u9wA:
2.0		 5cdqA-3u9wA:
22.27
5cdqB-3u9wA:
16.02
5cdqC-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
 1.17A 5cdqA-3ufbA:
undetectable
5cdqB-3ufbA:
undetectable
5cdqC-3ufbA:
undetectable		 5cdqA-3ufbA:
22.98
5cdqB-3ufbA:
17.44
5cdqC-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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 323
GLY A 321
GLU A 320
ARG A 329
 None
 1.10A 5cdqA-3vlyA:
undetectable
5cdqB-3vlyA:
undetectable
5cdqC-3vlyA:
undetectable		 5cdqA-3vlyA:
23.05
5cdqB-3vlyA:
13.36
5cdqC-3vlyA:
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.
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 5cdqA-3vwcA:
undetectable
5cdqB-3vwcA:
undetectable
5cdqC-3vwcA:
undetectable		 5cdqA-3vwcA:
13.65
5cdqB-3vwcA:
20.73
5cdqC-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
 1.09A 5cdqA-3w9aA:
undetectable
5cdqB-3w9aA:
undetectable
5cdqC-3w9aA:
undetectable		 5cdqA-3w9aA:
16.94
5cdqB-3w9aA:
22.05
5cdqC-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.
3wxr PROBABLE PROTEASOME
SUBUNIT ALPHA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 ARG G  90
GLY G  91
GLU G  94
ARG G  85
 None
 1.18A 5cdqA-3wxrG:
undetectable
5cdqB-3wxrG:
undetectable
5cdqC-3wxrG:
undetectable		 5cdqA-3wxrG:
21.99
5cdqB-3wxrG:
23.42
5cdqC-3wxrG:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5cdqA-4c3hA:
5.4
5cdqB-4c3hA:
undetectable
5cdqC-4c3hA:
5.4		 5cdqA-4c3hA:
14.69
5cdqB-4c3hA:
8.35
5cdqC-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
 0.98A 5cdqA-4fquA:
undetectable
5cdqB-4fquA:
undetectable
5cdqC-4fquA:
undetectable		 5cdqA-4fquA:
19.54
5cdqB-4fquA:
19.06
5cdqC-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
 0.93A 5cdqA-4fquA:
undetectable
5cdqB-4fquA:
undetectable
5cdqC-4fquA:
undetectable		 5cdqA-4fquA:
19.54
5cdqB-4fquA:
19.06
5cdqC-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 5cdqA-4g8tA:
undetectable
5cdqB-4g8tA:
undetectable
5cdqC-4g8tA:
undetectable		 5cdqA-4g8tA:
21.11
5cdqB-4g8tA:
20.67
5cdqC-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
 1.17A 5cdqA-4gaaA:
2.1
5cdqB-4gaaA:
undetectable
5cdqC-4gaaA:
2.2		 5cdqA-4gaaA:
22.14
5cdqB-4gaaA:
14.85
5cdqC-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.
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 5cdqA-4jyjA:
undetectable
5cdqB-4jyjA:
undetectable
5cdqC-4jyjA:
undetectable		 5cdqA-4jyjA:
21.81
5cdqB-4jyjA:
23.29
5cdqC-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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		4 SER A 711
GLY A 673
GLU A 669
ARG A 714
 None
 1.12A 5cdqA-4mt1A:
2.9
5cdqB-4mt1A:
undetectable
5cdqC-4mt1A:
undetectable		 5cdqA-4mt1A:
18.45
5cdqB-4mt1A:
11.89
5cdqC-4mt1A:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.82A 5cdqA-4nl4H:
3.8
5cdqB-4nl4H:
undetectable
5cdqC-4nl4H:
3.4		 5cdqA-4nl4H:
21.76
5cdqB-4nl4H:
14.66
5cdqC-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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 SER A 286
ARG A 115
GLY A 114
ARG A  87
 SPV  A 704 ( 2.8A)
None
None
SPV  A 704 (-3.8A)
 1.15A 5cdqA-4ox2A:
2.9
5cdqB-4ox2A:
undetectable
5cdqC-4ox2A:
2.8		 5cdqA-4ox2A:
21.19
5cdqB-4ox2A:
16.29
5cdqC-4ox2A:
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
 0.93A 5cdqA-4p5hA:
undetectable
5cdqB-4p5hA:
undetectable
5cdqC-4p5hA:
undetectable		 5cdqA-4p5hA:
21.83
5cdqB-4p5hA:
20.79
5cdqC-4p5hA:
21.83
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
 0.91A 5cdqA-4plbB:
57.3
5cdqB-4plbB:
30.5
5cdqC-4plbB:
57.2		 5cdqA-4plbB:
99.79
5cdqB-4plbB:
100.00
5cdqC-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 5cdqA-4pspA:
2.1
5cdqB-4pspA:
undetectable
5cdqC-4pspA:
undetectable		 5cdqA-4pspA:
22.06
5cdqB-4pspA:
16.34
5cdqC-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.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		4 SER A  48
ARG A 107
GLY A 249
GLU A 111
 LLP  A 241 ( 3.2A)
None
None
None
 1.08A 5cdqA-4q76A:
undetectable
5cdqB-4q76A:
undetectable
5cdqC-4q76A:
undetectable		 5cdqA-4q76A:
20.52
5cdqB-4q76A:
17.76
5cdqC-4q76A:
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.
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 5cdqA-4qj4B:
undetectable
5cdqB-4qj4B:
undetectable
5cdqC-4qj4B:
undetectable		 5cdqA-4qj4B:
19.33
5cdqB-4qj4B:
13.83
5cdqC-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.
4u0z ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE FICD

(Homo sapiens) 		PF02661
(Fic) 		4 ARG A 165
GLY A 409
GLU A 408
ARG A 180
 None
 1.14A 5cdqA-4u0zA:
undetectable
5cdqB-4u0zA:
undetectable
5cdqC-4u0zA:
undetectable		 5cdqA-4u0zA:
21.10
5cdqB-4u0zA:
20.96
5cdqC-4u0zA:
21.10
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.
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
 0.83A 5cdqA-4ubtA:
undetectable
5cdqB-4ubtA:
undetectable
5cdqC-4ubtA:
undetectable		 5cdqA-4ubtA:
24.25
5cdqB-4ubtA:
20.87
5cdqC-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
 1.12A 5cdqA-4wyqB:
undetectable
5cdqB-4wyqB:
undetectable
5cdqC-4wyqB:
undetectable		 5cdqA-4wyqB:
10.73
5cdqB-4wyqB:
17.01
5cdqC-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 5cdqA-5ah4A:
undetectable
5cdqB-5ah4A:
undetectable
5cdqC-5ah4A:
undetectable		 5cdqA-5ah4A:
22.82
5cdqB-5ah4A:
19.75
5cdqC-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.
5bqz HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ARG A  40
GLY A 285
GLU A  38
ARG A  82
 None
 1.16A 5cdqA-5bqzA:
undetectable
5cdqB-5bqzA:
undetectable
5cdqC-5bqzA:
undetectable		 5cdqA-5bqzA:
20.42
5cdqB-5bqzA:
18.60
5cdqC-5bqzA:
20.42
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.
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
 0.88A 5cdqA-5c65A:
1.3
5cdqB-5c65A:
undetectable
5cdqC-5c65A:
1.3		 5cdqA-5c65A:
22.54
5cdqB-5c65A:
16.77
5cdqC-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
 1.08A 5cdqA-5d9aA:
undetectable
5cdqB-5d9aA:
undetectable
5cdqC-5d9aA:
undetectable		 5cdqA-5d9aA:
23.77
5cdqB-5d9aA:
14.70
5cdqC-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
 1.18A 5cdqA-5e6sA:
undetectable
5cdqB-5e6sA:
2.5
5cdqC-5e6sA:
undetectable		 5cdqA-5e6sA:
20.76
5cdqB-5e6sA:
12.06
5cdqC-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.
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)
 1.12A 5cdqA-5hvfA:
undetectable
5cdqB-5hvfA:
3.7
5cdqC-5hvfA:
undetectable		 5cdqA-5hvfA:
22.50
5cdqB-5hvfA:
18.50
5cdqC-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
 1.09A 5cdqA-5i68A:
undetectable
5cdqB-5i68A:
undetectable
5cdqC-5i68A:
undetectable		 5cdqA-5i68A:
22.21
5cdqB-5i68A:
15.81
5cdqC-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.
5jqx GLUCOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00535
(Glycos_transf_2) 		4 ARG A 315
GLY A 115
GLU A 116
ARG A 280
 None
 1.17A 5cdqA-5jqxA:
undetectable
5cdqB-5jqxA:
undetectable
5cdqC-5jqxA:
undetectable		 5cdqA-5jqxA:
23.09
5cdqB-5jqxA:
23.15
5cdqC-5jqxA:
23.09
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.
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
 1.17A 5cdqA-5k1bB:
undetectable
5cdqB-5k1bB:
undetectable
5cdqC-5k1bB:
undetectable		 5cdqA-5k1bB:
21.77
5cdqB-5k1bB:
16.41
5cdqC-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.
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
 1.00A 5cdqA-5kkbA:
undetectable
5cdqB-5kkbA:
undetectable
5cdqC-5kkbA:
undetectable		 5cdqA-5kkbA:
22.92
5cdqB-5kkbA:
19.85
5cdqC-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
 1.03A 5cdqA-5m6pA:
2.8
5cdqB-5m6pA:
undetectable
5cdqC-5m6pA:
2.7		 5cdqA-5m6pA:
10.22
5cdqB-5m6pA:
13.99
5cdqC-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
 1.12A 5cdqA-5n03D:
undetectable
5cdqB-5n03D:
undetectable
5cdqC-5n03D:
undetectable		 5cdqA-5n03D:
21.19
5cdqB-5n03D:
21.65
5cdqC-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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 SER A 177
ARG A 354
GLY A 355
GLU A 331
 None
 1.14A 5cdqA-5oe5A:
undetectable
5cdqB-5oe5A:
undetectable
5cdqC-5oe5A:
undetectable		 5cdqA-5oe5A:
21.71
5cdqB-5oe5A:
18.61
5cdqC-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
 0.89A 5cdqA-5uz9B:
undetectable
5cdqB-5uz9B:
undetectable
5cdqC-5uz9B:
undetectable		 5cdqA-5uz9B:
24.58
5cdqB-5uz9B:
23.10
5cdqC-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.
5wvr KLLA0C04147P

(Kluyveromyces
lactis) 		PF01237
(Oxysterol_BP) 		4 ARG A1203
GLY A1237
GLU A1236
ARG A1193
 None
 0.94A 5cdqA-5wvrA:
undetectable
5cdqB-5wvrA:
undetectable
5cdqC-5wvrA:
undetectable		 5cdqA-5wvrA:
21.43
5cdqB-5wvrA:
16.47
5cdqC-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
 0.98A 5cdqA-5xd6A:
3.1
5cdqB-5xd6A:
undetectable
5cdqC-5xd6A:
3.3		 5cdqA-5xd6A:
12.74
5cdqB-5xd6A:
15.98
5cdqC-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
 1.05A 5cdqA-5xogB:
undetectable
5cdqB-5xogB:
undetectable
5cdqC-5xogB:
undetectable		 5cdqA-5xogB:
18.56
5cdqB-5xogB:
11.20
5cdqC-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 5cdqA-5yl7A:
undetectable
5cdqB-5yl7A:
undetectable
5cdqC-5yl7A:
undetectable		 5cdqA-5yl7A:
10.78
5cdqB-5yl7A:
15.14
5cdqC-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
 1.04A 5cdqA-5yxaA:
undetectable
5cdqB-5yxaA:
undetectable
5cdqC-5yxaA:
undetectable		 5cdqA-5yxaA:
10.45
5cdqB-5yxaA:
14.51
5cdqC-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 5cdqA-5z95A:
undetectable
5cdqB-5z95A:
3.5
5cdqC-5z95A:
undetectable		 5cdqA-5z95A:
undetectable
5cdqB-5z95A:
undetectable
5cdqC-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
 1.11A 5cdqA-6apgA:
undetectable
5cdqB-6apgA:
undetectable
5cdqC-6apgA:
undetectable		 5cdqA-6apgA:
11.06
5cdqB-6apgA:
17.53
5cdqC-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 5cdqA-6cc0A:
undetectable
5cdqB-6cc0A:
undetectable
5cdqC-6cc0A:
undetectable		 5cdqA-6cc0A:
9.96
5cdqB-6cc0A:
16.75
5cdqC-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.
6frv GLUCOAMYLASE

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