SIMILAR PATTERNS OF AMINO ACIDS FOR 5CDQ_F_MFXF2101_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.
1ava BARLEY
ALPHA-AMYLASE/SUBTIL
ISIN INHIBITOR

(Hordeum vulgare) 		PF00197
(Kunitz_legume) 		4 SER C  70
ASP C  79
ARG C 127
GLU C 129
 None
 0.99A 5cdqA-1avaC:
0.0
5cdqC-1avaC:
0.0
5cdqD-1avaC:
undetectable		 5cdqA-1avaC:
17.35
5cdqC-1avaC:
17.35
5cdqD-1avaC:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 ARG A 528
ASP A 527
ARG A 479
GLY A 483
 None
 0.90A 5cdqA-1b25A:
0.0
5cdqC-1b25A:
0.0
5cdqD-1b25A:
undetectable		 5cdqA-1b25A:
23.09
5cdqC-1b25A:
23.09
5cdqD-1b25A:
16.26
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.
1iid PEPTIDE
N-MYRISTOYLTRANSFERA
SE

(Saccharomyces
cerevisiae) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 SER A 328
ASP A 403
ARG A 282
GLY A 451
 None
 1.03A 5cdqA-1iidA:
0.0
5cdqC-1iidA:
undetectable
5cdqD-1iidA:
undetectable		 5cdqA-1iidA:
21.37
5cdqC-1iidA:
21.37
5cdqD-1iidA:
21.09
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.
1jr7 HYPOTHETICAL 37.4
KDA PROTEIN IN
ILEY-GABD INTERGENIC
REGION

(Escherichia
coli) 		PF08943
(CsiD) 		4 ARG A 242
ASP A 162
ARG A 311
GLY A 312
 None
FE2  A 501 (-2.7A)
None
None
 0.97A 5cdqA-1jr7A:
undetectable
5cdqC-1jr7A:
undetectable
5cdqD-1jr7A:
undetectable		 5cdqA-1jr7A:
20.61
5cdqC-1jr7A:
20.61
5cdqD-1jr7A:
21.94
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ASP A 405
ARG A 364
GLY A 369
GLU A 368
 None
 1.08A 5cdqA-1knrA:
3.3
5cdqC-1knrA:
3.3
5cdqD-1knrA:
undetectable		 5cdqA-1knrA:
23.47
5cdqC-1knrA:
23.47
5cdqD-1knrA:
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.
1lnq POTASSIUM CHANNEL
RELATED PROTEIN

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		4 ASP A 316
ARG A 298
GLY A 299
GLU A 301
 None
 1.08A 5cdqA-1lnqA:
0.0
5cdqC-1lnqA:
0.0
5cdqD-1lnqA:
3.2		 5cdqA-1lnqA:
22.22
5cdqC-1lnqA:
22.22
5cdqD-1lnqA:
22.46
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.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		4 SER Q 261
ASP Q 191
ARG Q 190
GLU Q 166
 None
 1.04A 5cdqA-1oh2Q:
0.0
5cdqC-1oh2Q:
0.0
5cdqD-1oh2Q:
undetectable		 5cdqA-1oh2Q:
21.09
5cdqC-1oh2Q:
21.09
5cdqD-1oh2Q:
19.07
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 4 SER B 201
ASP B 109
ARG B 112
GLU B 115
 None
 1.00A 5cdqA-1p3wB:
2.1
5cdqC-1p3wB:
0.0
5cdqD-1p3wB:
undetectable		 5cdqA-1p3wB:
23.98
5cdqC-1p3wB:
23.98
5cdqD-1p3wB:
21.38
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.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		4 ASP A 218
ARG A 242
GLY A 240
GLU A 260
 None
 0.97A 5cdqA-1rwrA:
undetectable
5cdqC-1rwrA:
undetectable
5cdqD-1rwrA:
undetectable		 5cdqA-1rwrA:
20.77
5cdqC-1rwrA:
20.77
5cdqD-1rwrA:
24.14
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 SER A 288
ASP A 311
ARG A 310
GLY A 334
 None
None
None
FMN  A1398 (-3.6A)
 0.90A 5cdqA-1uuoA:
undetectable
5cdqC-1uuoA:
undetectable
5cdqD-1uuoA:
undetectable		 5cdqA-1uuoA:
21.46
5cdqC-1uuoA:
21.46
5cdqD-1uuoA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 SER A 288
ASP A 311
ARG A 310
GLY A 335
 None
None
None
FMN  A1398 (-3.6A)
 1.07A 5cdqA-1uuoA:
undetectable
5cdqC-1uuoA:
undetectable
5cdqD-1uuoA:
undetectable		 5cdqA-1uuoA:
21.46
5cdqC-1uuoA:
21.46
5cdqD-1uuoA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		4 ARG A 192
SER A 195
ASP A 106
GLU A  57
 None
 0.97A 5cdqA-1uz4A:
undetectable
5cdqC-1uz4A:
undetectable
5cdqD-1uz4A:
undetectable		 5cdqA-1uz4A:
19.42
5cdqC-1uz4A:
19.42
5cdqD-1uz4A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 ASP A 367
ARG A  33
GLY A  32
GLU A  30
 None
 1.06A 5cdqA-1w6jA:
undetectable
5cdqC-1w6jA:
3.0
5cdqD-1w6jA:
undetectable		 5cdqA-1w6jA:
20.30
5cdqC-1w6jA:
20.30
5cdqD-1w6jA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Pyrococcus
furiosus) 		PF00290
(Trp_syntA) 		4 ASP A  17
ARG A 232
GLY A 231
GLU A 233
 None
 1.02A 5cdqA-1wdwA:
undetectable
5cdqC-1wdwA:
undetectable
5cdqD-1wdwA:
undetectable		 5cdqA-1wdwA:
21.21
5cdqC-1wdwA:
21.21
5cdqD-1wdwA:
23.92
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.
1yab CHEMOTAXIS PROTEIN

(Thermotoga
maritima) 		PF01052
(FliMN_C) 		4 ASP A 115
ARG A 125
GLY A 126
GLU A 141
 None
 1.02A 5cdqA-1yabA:
undetectable
5cdqC-1yabA:
undetectable
5cdqD-1yabA:
undetectable		 5cdqA-1yabA:
13.15
5cdqC-1yabA:
13.15
5cdqD-1yabA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		4 SER A  29
ARG A 207
GLY A 205
GLU A 209
 None
 0.87A 5cdqA-1yifA:
undetectable
5cdqC-1yifA:
undetectable
5cdqD-1yifA:
undetectable		 5cdqA-1yifA:
22.16
5cdqC-1yifA:
22.16
5cdqD-1yifA:
16.47
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.
1yvp 60-KDA SS-A/RO
RIBONUCLEOPROTEIN

(Xenopus laevis) 		PF05731
(TROVE) 		4 ASP A 523
ARG A  85
GLY A  84
GLU A  83
 None
None
C  G   8 ( 4.5A)
None
 0.99A 5cdqA-1yvpA:
2.2
5cdqC-1yvpA:
2.0
5cdqD-1yvpA:
2.1		 5cdqA-1yvpA:
21.80
5cdqC-1yvpA:
21.80
5cdqD-1yvpA:
18.27
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.
1zwm GAMMA CRYSTALLIN S

(Mus musculus) 		PF00030
(Crystall) 		4 ARG A  71
ARG A  40
GLY A  64
GLU A  42
 None
 0.94A 5cdqA-1zwmA:
undetectable
5cdqC-1zwmA:
undetectable
5cdqD-1zwmA:
undetectable		 5cdqA-1zwmA:
16.67
5cdqC-1zwmA:
16.67
5cdqD-1zwmA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 ARG A 196
ARG A 216
GLY A 220
GLU A 219
 None
 1.07A 5cdqA-2b4eA:
undetectable
5cdqC-2b4eA:
undetectable
5cdqD-2b4eA:
undetectable		 5cdqA-2b4eA:
24.10
5cdqC-2b4eA:
24.10
5cdqD-2b4eA:
18.41
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 SER A 321
ASP A 495
ARG A 498
GLY A 485
 None
 0.88A 5cdqA-2bklA:
undetectable
5cdqC-2bklA:
undetectable
5cdqD-2bklA:
2.9		 5cdqA-2bklA:
20.43
5cdqC-2bklA:
20.43
5cdqD-2bklA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 140
ASP A 139
ARG A 159
GLY A 160
 None
 1.00A 5cdqA-2e5vA:
undetectable
5cdqC-2e5vA:
undetectable
5cdqD-2e5vA:
undetectable		 5cdqA-2e5vA:
22.84
5cdqC-2e5vA:
22.84
5cdqD-2e5vA:
18.04
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		4 SER A 231
ASP A 174
ARG A 180
GLY A 190
 None
GLN  A 501 (-4.5A)
None
None
 0.83A 5cdqA-2f2aA:
0.6
5cdqC-2f2aA:
undetectable
5cdqD-2f2aA:
undetectable		 5cdqA-2f2aA:
22.59
5cdqC-2f2aA:
22.59
5cdqD-2f2aA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		4 SER A 190
ASP A 108
ARG A 106
GLY A 171
 None
 1.00A 5cdqA-2f5xA:
undetectable
5cdqC-2f5xA:
undetectable
5cdqD-2f5xA:
undetectable		 5cdqA-2f5xA:
20.42
5cdqC-2f5xA:
20.42
5cdqD-2f5xA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6a COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05737
(Collagen_bind) 		4 ASP A  50
ARG A 136
GLY A 135
GLU A  86
 None
 1.03A 5cdqA-2f6aA:
undetectable
5cdqC-2f6aA:
undetectable
5cdqD-2f6aA:
undetectable		 5cdqA-2f6aA:
19.80
5cdqC-2f6aA:
19.80
5cdqD-2f6aA:
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.
2g40 CONSERVED
HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02589
(LUD_dom) 		4 ARG A  41
ASP A 157
ARG A 155
GLY A 212
 None
 0.97A 5cdqA-2g40A:
undetectable
5cdqC-2g40A:
undetectable
5cdqD-2g40A:
undetectable		 5cdqA-2g40A:
20.55
5cdqC-2g40A:
20.55
5cdqD-2g40A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		4 ASP A  34
ARG A 219
GLY A 220
GLU A   4
 None
 1.01A 5cdqA-2g9iA:
undetectable
5cdqC-2g9iA:
undetectable
5cdqD-2g9iA:
undetectable		 5cdqA-2g9iA:
21.50
5cdqC-2g9iA:
21.50
5cdqD-2g9iA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		4 SER A 235
ASP A 100
GLY A 129
GLU A 147
 None
TRS  A 293 (-2.8A)
None
None
 0.92A 5cdqA-2gupA:
undetectable
5cdqC-2gupA:
undetectable
5cdqD-2gupA:
undetectable		 5cdqA-2gupA:
21.69
5cdqC-2gupA:
21.69
5cdqD-2gupA:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lgz DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A 174
ARG A 170
GLY A 167
GLU A 168
 None
 1.06A 5cdqA-2lgzA:
undetectable
5cdqC-2lgzA:
undetectable
5cdqD-2lgzA:
undetectable		 5cdqA-2lgzA:
21.72
5cdqC-2lgzA:
21.72
5cdqD-2lgzA:
22.58
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.
2vvd SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 SER A 309
ASP A 270
ARG A 216
GLU A 315
 None
 1.07A 5cdqA-2vvdA:
undetectable
5cdqC-2vvdA:
undetectable
5cdqD-2vvdA:
undetectable		 5cdqA-2vvdA:
18.24
5cdqC-2vvdA:
18.24
5cdqD-2vvdA:
23.79
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.
2wu0 PHYTASE

(Klebsiella
pneumoniae) 		PF00328
(His_Phos_2) 		5 ARG A 100
ASP A  53
ARG A  35
GLY A  33
GLU A  36
 SO4  A1407 ( 3.1A)
None
None
None
None
 1.47A 5cdqA-2wu0A:
undetectable
5cdqC-2wu0A:
undetectable
5cdqD-2wu0A:
undetectable		 5cdqA-2wu0A:
20.97
5cdqC-2wu0A:
20.97
5cdqD-2wu0A:
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ARG A 351
ASP A 644
GLY A 600
GLU A 588
 None
CA  A 800 ( 2.8A)
None
None
 0.89A 5cdqA-2wzsA:
2.6
5cdqC-2wzsA:
undetectable
5cdqD-2wzsA:
undetectable		 5cdqA-2wzsA:
20.11
5cdqC-2wzsA:
20.11
5cdqD-2wzsA:
13.89
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ARG A 351
SER A 542
GLY A 600
GLU A 588
 None
 0.94A 5cdqA-2wzsA:
2.6
5cdqC-2wzsA:
undetectable
5cdqD-2wzsA:
undetectable		 5cdqA-2wzsA:
20.11
5cdqC-2wzsA:
20.11
5cdqD-2wzsA:
13.89
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.
2x49 INVASION PROTEIN
INVA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		4 ARG A 589
ARG A 468
GLY A 471
GLU A 469
 None
 1.02A 5cdqA-2x49A:
undetectable
5cdqC-2x49A:
undetectable
5cdqD-2x49A:
undetectable		 5cdqA-2x49A:
21.93
5cdqC-2x49A:
21.93
5cdqD-2x49A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 SER A 476
ASP A 552
ARG A 527
GLY A 529
 PGR  A1749 (-2.9A)
None
PGR  A1747 (-4.0A)
None
 0.92A 5cdqA-2xe4A:
undetectable
5cdqC-2xe4A:
undetectable
5cdqD-2xe4A:
2.2		 5cdqA-2xe4A:
22.03
5cdqC-2xe4A:
22.03
5cdqD-2xe4A:
13.69
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.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 SER A  24
ASP A 320
ARG A 325
GLY A 328
 None
 1.04A 5cdqA-2xe5A:
undetectable
5cdqC-2xe5A:
undetectable
5cdqD-2xe5A:
undetectable		 5cdqA-2xe5A:
22.49
5cdqC-2xe5A:
22.49
5cdqD-2xe5A:
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.
2ych COMPETENCE PROTEIN
PILM

(Thermus
thermophilus) 		PF11104
(PilM_2) 		4 SER A 204
ASP A 171
ARG A 371
GLY A 367
 None
 0.92A 5cdqA-2ychA:
undetectable
5cdqC-2ychA:
undetectable
5cdqD-2ychA:
undetectable		 5cdqA-2ychA:
24.90
5cdqC-2ychA:
24.90
5cdqD-2ychA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 ASP A 406
ARG A 247
GLY A 249
GLU A 250
 None
 1.04A 5cdqA-2ywbA:
undetectable
5cdqC-2ywbA:
undetectable
5cdqD-2ywbA:
undetectable		 5cdqA-2ywbA:
23.05
5cdqC-2ywbA:
23.05
5cdqD-2ywbA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 SER A 230
ASP A 170
ARG A 176
GLY A 186
 None
 0.91A 5cdqA-3a2qA:
undetectable
5cdqC-3a2qA:
undetectable
5cdqD-3a2qA:
undetectable		 5cdqA-3a2qA:
23.19
5cdqC-3a2qA:
23.19
5cdqD-3a2qA:
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ARG A  81
ARG A  87
GLY A  86
GLU A  90
 None
PO4  A 260 ( 2.6A)
PO4  A 259 ( 3.8A)
None
 0.98A 5cdqA-3b4tA:
undetectable
5cdqC-3b4tA:
undetectable
5cdqD-3b4tA:
undetectable		 5cdqA-3b4tA:
20.42
5cdqC-3b4tA:
20.42
5cdqD-3b4tA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 SER A 245
ASP A 181
ARG A 184
GLY A 186
 None
 1.07A 5cdqA-3cemA:
undetectable
5cdqC-3cemA:
undetectable
5cdqD-3cemA:
undetectable		 5cdqA-3cemA:
21.32
5cdqC-3cemA:
21.32
5cdqD-3cemA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		4 SER A 224
ASP A 167
ARG A 173
GLY A 183
 None
 0.78A 5cdqA-3h0lA:
0.9
5cdqC-3h0lA:
undetectable
5cdqD-3h0lA:
undetectable		 5cdqA-3h0lA:
21.36
5cdqC-3h0lA:
21.36
5cdqD-3h0lA:
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.
3h0r ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Aquifex
aeolicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 ARG B 201
ARG B 211
GLY B  10
GLU B  12
 None
ADP  B 479 (-3.0A)
ADP  B 479 (-3.4A)
MN  B 481 ( 2.8A)
 1.07A 5cdqA-3h0rB:
2.6
5cdqC-3h0rB:
2.5
5cdqD-3h0rB:
undetectable		 5cdqA-3h0rB:
22.22
5cdqC-3h0rB:
22.22
5cdqD-3h0rB:
17.06
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		4 ARG A 295
ARG A 300
GLY A 299
GLU A 303
 None
 1.05A 5cdqA-3h6eA:
undetectable
5cdqC-3h6eA:
undetectable
5cdqD-3h6eA:
undetectable		 5cdqA-3h6eA:
24.04
5cdqC-3h6eA:
24.04
5cdqD-3h6eA:
20.79
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.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		4 ASP A 178
ARG A 188
GLY A 185
GLU A 184
 None
 1.03A 5cdqA-3htzA:
undetectable
5cdqC-3htzA:
undetectable
5cdqD-3htzA:
undetectable		 5cdqA-3htzA:
23.38
5cdqC-3htzA:
23.38
5cdqD-3htzA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ih5 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Bacteroides
thetaiotaomicron) 		PF01012
(ETF) 		4 SER A 108
ASP A 118
ARG A 168
GLY A  95
 None
None
FMT  A 218 (-3.4A)
None
 0.99A 5cdqA-3ih5A:
undetectable
5cdqC-3ih5A:
undetectable
5cdqD-3ih5A:
2.2		 5cdqA-3ih5A:
19.32
5cdqC-3ih5A:
19.32
5cdqD-3ih5A:
25.21
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.
3ks5 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		4 ASP A  16
ARG A   8
GLY A   9
GLU A  34
 EDO  A 256 (-3.5A)
ACT  A 251 ( 3.9A)
None
FE  A 250 ( 2.6A)
 1.00A 5cdqA-3ks5A:
undetectable
5cdqC-3ks5A:
undetectable
5cdqD-3ks5A:
undetectable		 5cdqA-3ks5A:
20.25
5cdqC-3ks5A:
20.25
5cdqD-3ks5A:
22.93
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.
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 1
SUMO-ACTIVATING
ENZYME SUBUNIT 2

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL) 		4 SER A 238
ARG B 414
GLY A 336
GLU B 401
 None
 1.08A 5cdqA-3kydA:
undetectable
5cdqC-3kydA:
undetectable
5cdqD-3kydA:
undetectable		 5cdqA-3kydA:
20.86
5cdqC-3kydA:
20.86
5cdqD-3kydA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m3w PROTEIN KINASE C AND
CASEIN KINASE II
SUBSTRATE PROTEIN 3

(Mus musculus) 		PF00611
(FCH) 		4 ASP A  38
ARG A  34
GLY A  32
GLU A  30
 None
 0.56A 5cdqA-3m3wA:
2.8
5cdqC-3m3wA:
2.8
5cdqD-3m3wA:
undetectable		 5cdqA-3m3wA:
22.24
5cdqC-3m3wA:
22.24
5cdqD-3m3wA:
20.78
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		4 SER A 200
ASP A 195
ARG A 236
GLY A 235
 None
 0.74A 5cdqA-3qh4A:
undetectable
5cdqC-3qh4A:
undetectable
5cdqD-3qh4A:
3.6		 5cdqA-3qh4A:
18.56
5cdqC-3qh4A:
18.56
5cdqD-3qh4A:
19.76
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.
3qqi HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ARG A  78
ASP A  77
ARG A 149
GLY A  72
 None
 1.05A 5cdqA-3qqiA:
undetectable
5cdqC-3qqiA:
undetectable
5cdqD-3qqiA:
undetectable		 5cdqA-3qqiA:
18.67
5cdqC-3qqiA:
18.67
5cdqD-3qqiA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ARG A 450
ASP A 476
ARG A 472
GLY A 469
 None
 1.05A 5cdqA-3qxmA:
undetectable
5cdqC-3qxmA:
undetectable
5cdqD-3qxmA:
undetectable		 5cdqA-3qxmA:
19.18
5cdqC-3qxmA:
19.18
5cdqD-3qxmA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tht ALKYLATED DNA REPAIR
PROTEIN ALKB HOMOLOG
8

(Homo sapiens) 		PF00076
(RRM_1)
PF13532
(2OG-FeII_Oxy_2) 		4 SER A 330
ASP A 300
ARG A 297
GLY A 232
 AKG  A 403 (-3.4A)
None
None
None
 1.07A 5cdqA-3thtA:
2.5
5cdqC-3thtA:
2.2
5cdqD-3thtA:
undetectable		 5cdqA-3thtA:
20.77
5cdqC-3thtA:
20.77
5cdqD-3thtA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		4 ARG A  74
SER A 149
ARG A 102
GLY A  36
 None
 0.91A 5cdqA-3u37A:
undetectable
5cdqC-3u37A:
undetectable
5cdqD-3u37A:
2.7		 5cdqA-3u37A:
20.66
5cdqC-3u37A:
20.66
5cdqD-3u37A:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ARG A 110
SER A  66
GLY A 152
GLU A 150
 None
 0.85A 5cdqA-3vteA:
3.1
5cdqC-3vteA:
3.4
5cdqD-3vteA:
undetectable		 5cdqA-3vteA:
20.92
5cdqC-3vteA:
20.92
5cdqD-3vteA:
17.06
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 SER A 242
ASP A 291
ARG A 303
GLU A 275
 None
 1.04A 5cdqA-3vueA:
undetectable
5cdqC-3vueA:
undetectable
5cdqD-3vueA:
3.6		 5cdqA-3vueA:
22.89
5cdqC-3vueA:
22.89
5cdqD-3vueA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w5v FERREDOXIN

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ARG A 178
ARG A 222
GLY A 217
GLU A 221
 None
 1.03A 5cdqA-3w5vA:
undetectable
5cdqC-3w5vA:
undetectable
5cdqD-3w5vA:
undetectable		 5cdqA-3w5vA:
22.43
5cdqC-3w5vA:
22.43
5cdqD-3w5vA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 4 SER B 125
ASP B  77
ARG B  75
GLY B 113
 None
 0.99A 5cdqA-3x17B:
undetectable
5cdqC-3x17B:
undetectable
5cdqD-3x17B:
undetectable		 5cdqA-3x17B:
21.76
5cdqC-3x17B:
21.76
5cdqD-3x17B:
16.52
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.
4b2q ATP SYNTHASE SUBUNIT
BETA, MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 SER D 353
ASP D 315
ARG D 337
GLY D 338
 None
 0.94A 5cdqA-4b2qD:
undetectable
5cdqC-4b2qD:
undetectable
5cdqD-4b2qD:
undetectable		 5cdqA-4b2qD:
23.51
5cdqC-4b2qD:
23.51
5cdqD-4b2qD:
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.
4bil DNA MATURASE B

(Escherichia
virus T7) 		no annotation 4 SER A 353
ASP A 312
ARG A 456
GLU A 454
 None
 0.90A 5cdqA-4bilA:
undetectable
5cdqC-4bilA:
undetectable
5cdqD-4bilA:
undetectable		 5cdqA-4bilA:
21.19
5cdqC-4bilA:
21.19
5cdqD-4bilA:
17.42
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 SER A 462
ASP A 538
ARG A 513
GLY A 515
 None
 0.93A 5cdqA-4bp8A:
undetectable
5cdqC-4bp8A:
undetectable
5cdqD-4bp8A:
3.3		 5cdqA-4bp8A:
20.79
5cdqC-4bp8A:
20.79
5cdqD-4bp8A:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		4 SER A 242
ARG A 156
GLY A 108
GLU A 106
 None
None
AOV  A1001 (-3.0A)
None
 1.02A 5cdqA-4byfA:
2.8
5cdqC-4byfA:
2.8
5cdqD-4byfA:
undetectable		 5cdqA-4byfA:
22.12
5cdqC-4byfA:
22.12
5cdqD-4byfA:
14.10
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		4 ARG A 340
ASP A 303
ARG A 285
GLY A 301
 None
 0.87A 5cdqA-4d1iA:
undetectable
5cdqC-4d1iA:
undetectable
5cdqD-4d1iA:
2.1		 5cdqA-4d1iA:
21.47
5cdqC-4d1iA:
21.47
5cdqD-4d1iA:
17.35
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.
4eh1 FLAVOHEMOPROTEIN

(Vibrio cholerae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ASP A 180
ARG A 179
GLY A 189
GLU A 190
 None
 0.89A 5cdqA-4eh1A:
undetectable
5cdqC-4eh1A:
undetectable
5cdqD-4eh1A:
undetectable		 5cdqA-4eh1A:
17.88
5cdqC-4eh1A:
17.88
5cdqD-4eh1A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyr GLUCARATE
DEHYDRATASE

(Acidaminococcus
intestini) 		PF13378
(MR_MLE_C) 		4 SER A 336
ASP A 199
ARG A 142
GLY A 385
 None
 1.02A 5cdqA-4hyrA:
undetectable
5cdqC-4hyrA:
undetectable
5cdqD-4hyrA:
undetectable		 5cdqA-4hyrA:
22.39
5cdqC-4hyrA:
22.39
5cdqD-4hyrA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j07 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Mycobacterium
leprae) 		PF00885
(DMRL_synthase) 		4 SER A 158
ASP A  74
ARG A  19
GLY A  17
 None
 1.08A 5cdqA-4j07A:
undetectable
5cdqC-4j07A:
undetectable
5cdqD-4j07A:
undetectable		 5cdqA-4j07A:
19.70
5cdqC-4j07A:
19.70
5cdqD-4j07A:
25.93
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.
4j6o METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF00149
(Metallophos) 		4 ASP A 183
ARG A 226
GLY A 203
GLU A 224
 None
None
None
GOL  A 507 (-3.4A)
 0.93A 5cdqA-4j6oA:
undetectable
5cdqC-4j6oA:
undetectable
5cdqD-4j6oA:
undetectable		 5cdqA-4j6oA:
19.63
5cdqC-4j6oA:
19.63
5cdqD-4j6oA:
23.92
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 B1084
ARG B 458
GLY B 459
GLU B 477
 None
 1.01A 5cdqA-4plbB:
57.3
5cdqC-4plbB:
57.2
5cdqD-4plbB:
29.5		 5cdqA-4plbB:
99.79
5cdqC-4plbB:
99.79
5cdqD-4plbB:
100.00
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.
4pwo DSBA

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		4 SER A 133
ASP A 156
ARG A 172
GLY A 171
 None
 0.93A 5cdqA-4pwoA:
undetectable
5cdqC-4pwoA:
undetectable
5cdqD-4pwoA:
undetectable		 5cdqA-4pwoA:
20.00
5cdqC-4pwoA:
20.00
5cdqD-4pwoA:
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		4 ARG A 363
ASP A 329
ARG A 333
GLY A 334
 None
 0.96A 5cdqA-4px9A:
undetectable
5cdqC-4px9A:
undetectable
5cdqD-4px9A:
undetectable		 5cdqA-4px9A:
20.88
5cdqC-4px9A:
20.88
5cdqD-4px9A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		4 SER A 201
ASP A  43
ARG A  45
GLY A 112
 None
 1.03A 5cdqA-4pxlA:
undetectable
5cdqC-4pxlA:
undetectable
5cdqD-4pxlA:
undetectable		 5cdqA-4pxlA:
20.64
5cdqC-4pxlA:
20.64
5cdqD-4pxlA:
18.35
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.
4ri0 SERINE PROTEASE
HTRA3

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 SER A 375
ASP A 406
ARG A 438
GLY A 439
 None
 1.06A 5cdqA-4ri0A:
undetectable
5cdqC-4ri0A:
undetectable
5cdqD-4ri0A:
undetectable		 5cdqA-4ri0A:
22.31
5cdqC-4ri0A:
22.31
5cdqD-4ri0A:
22.26
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		4 SER A 320
ASP A  98
ARG A  96
GLY A  95
 PO4  A 405 (-4.7A)
None
None
None
 0.83A 5cdqA-4rnlA:
undetectable
5cdqC-4rnlA:
undetectable
5cdqD-4rnlA:
undetectable		 5cdqA-4rnlA:
23.38
5cdqC-4rnlA:
23.38
5cdqD-4rnlA:
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		4 ASP A  92
ARG A  88
GLY A  87
GLU A 210
 None
 0.75A 5cdqA-4x00A:
undetectable
5cdqC-4x00A:
undetectable
5cdqD-4x00A:
3.3		 5cdqA-4x00A:
22.17
5cdqC-4x00A:
22.17
5cdqD-4x00A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xtt PUTATIVE POTASSIUM
TRANSPORT PROTEIN

(Staphylococcus
aureus) 		PF02080
(TrkA_C) 		4 ASP A 199
ARG A 181
GLY A 182
GLU A 184
 None
 1.05A 5cdqA-4xttA:
2.6
5cdqC-4xttA:
2.7
5cdqD-4xttA:
undetectable		 5cdqA-4xttA:
10.40
5cdqC-4xttA:
10.40
5cdqD-4xttA:
17.95
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 SER A 366
ARG A 354
GLY A 355
GLU A 352
 None
 0.78A 5cdqA-4yzwA:
undetectable
5cdqC-4yzwA:
undetectable
5cdqD-4yzwA:
undetectable		 5cdqA-4yzwA:
22.21
5cdqC-4yzwA:
22.21
5cdqD-4yzwA:
15.89
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.
5b29 FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		4 SER A  34
ASP A  76
ARG A  78
GLY A  24
 None
PLM  A 200 ( 4.3A)
None
None
 1.03A 5cdqA-5b29A:
undetectable
5cdqC-5b29A:
undetectable
5cdqD-5b29A:
undetectable		 5cdqA-5b29A:
17.05
5cdqC-5b29A:
17.05
5cdqD-5b29A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdo DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B

(Staphylococcus
aureus) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ASP B 437
ARG B 458
GLY B 459
GLU B 477
 None
 1.04A 5cdqA-5cdoB:
undetectable
5cdqC-5cdoB:
undetectable
5cdqD-5cdoB:
32.4		 5cdqA-5cdoB:
18.03
5cdqC-5cdoB:
18.03
5cdqD-5cdoB:
100.00
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.
5d4w PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ARG A 403
ASP A 406
GLY A 228
GLU A 234
 None
ADP  A1001 (-4.1A)
ADP  A1001 (-3.3A)
None
 1.05A 5cdqA-5d4wA:
2.8
5cdqC-5d4wA:
2.8
5cdqD-5d4wA:
undetectable		 5cdqA-5d4wA:
20.37
5cdqC-5d4wA:
20.37
5cdqD-5d4wA:
12.54
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 363
ASP A 329
ARG A 333
GLY A 334
 None
 0.81A 5cdqA-5e7jA:
undetectable
5cdqC-5e7jA:
undetectable
5cdqD-5e7jA:
2.0		 5cdqA-5e7jA:
22.08
5cdqC-5e7jA:
22.08
5cdqD-5e7jA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eq6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILM

(Pseudomonas
aeruginosa) 		PF11104
(PilM_2) 		4 SER A 208
ASP A 169
ARG A 351
GLY A 347
 None
 0.90A 5cdqA-5eq6A:
undetectable
5cdqC-5eq6A:
undetectable
5cdqD-5eq6A:
undetectable		 5cdqA-5eq6A:
22.29
5cdqC-5eq6A:
22.29
5cdqD-5eq6A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 390
ASP A 221
GLY A 332
GLU A 334
 None
FRU  A3001 ( 2.7A)
None
GLC  A3002 ( 3.0A)
 0.97A 5cdqA-5fkcA:
undetectable
5cdqC-5fkcA:
undetectable
5cdqD-5fkcA:
undetectable		 5cdqA-5fkcA:
23.73
5cdqC-5fkcA:
23.73
5cdqD-5fkcA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 SER D 384
ASP D 346
ARG D 368
GLY D 369
 None
 0.80A 5cdqA-5fl7D:
undetectable
5cdqC-5fl7D:
undetectable
5cdqD-5fl7D:
undetectable		 5cdqA-5fl7D:
24.57
5cdqC-5fl7D:
24.57
5cdqD-5fl7D:
17.42
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 ARG A 500
SER A 633
ARG A 625
GLY A 626
GLU A 624
 None
 1.33A 5cdqA-5gw7A:
undetectable
5cdqC-5gw7A:
0.8
5cdqD-5gw7A:
undetectable		 5cdqA-5gw7A:
20.97
5cdqC-5gw7A:
20.97
5cdqD-5gw7A:
14.57
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 SER A 245
ASP A 181
ARG A 184
GLY A 186
 None
 0.79A 5cdqA-5ikpA:
undetectable
5cdqC-5ikpA:
undetectable
5cdqD-5ikpA:
1.9		 5cdqA-5ikpA:
22.75
5cdqC-5ikpA:
22.75
5cdqD-5ikpA:
12.67
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 ARG A 347
SER A 265
GLY A 327
GLU A 190
 SO4  A 600 (-2.7A)
SO4  A 600 (-3.0A)
None
None
 1.01A 5cdqA-5jm7A:
undetectable
5cdqC-5jm7A:
undetectable
5cdqD-5jm7A:
undetectable		 5cdqA-5jm7A:
21.70
5cdqC-5jm7A:
21.70
5cdqD-5jm7A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		4 SER A 288
ASP A 311
ARG A 310
GLY A 334
 None
ACT  A 405 (-3.6A)
None
FMN  A 401 (-3.5A)
 0.92A 5cdqA-5mvdA:
undetectable
5cdqC-5mvdA:
undetectable
5cdqD-5mvdA:
undetectable		 5cdqA-5mvdA:
24.45
5cdqC-5mvdA:
24.45
5cdqD-5mvdA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6k POLYPHOSPHATE:AMP
PHOSPHOTRANSFERASE

(Meiothermus
ruber) 		no annotation 4 ARG A 122
SER A  90
ASP A  66
GLY A  69
 None
None
PO4  A 301 (-4.6A)
PO4  A 301 (-3.4A)
 1.03A 5cdqA-5o6kA:
undetectable
5cdqC-5o6kA:
undetectable
5cdqD-5o6kA:
2.0		 5cdqA-5o6kA:
11.21
5cdqC-5o6kA:
11.21
5cdqD-5o6kA:
16.93
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.
5ol2 ACYL-COA
DEHYDROGENASE
ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 4 SER C   5
ASP B 198
GLY C  63
GLU C  61
 None
 0.95A 5cdqA-5ol2C:
2.8
5cdqC-5ol2C:
2.7
5cdqD-5ol2C:
undetectable		 5cdqA-5ol2C:
21.53
5cdqC-5ol2C:
21.53
5cdqD-5ol2C:
20.26
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 4 SER A 337
ASP A 600
ARG A 531
GLY A 532
 None
 1.03A 5cdqA-5v9xA:
2.9
5cdqC-5v9xA:
2.9
5cdqD-5v9xA:
1.6		 5cdqA-5v9xA:
10.37
5cdqC-5v9xA:
10.37
5cdqD-5v9xA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 367
ASP A 194
GLY A 294
GLU A 296
 None
 0.94A 5cdqA-5xh9A:
undetectable
5cdqC-5xh9A:
undetectable
5cdqD-5xh9A:
undetectable		 5cdqA-5xh9A:
21.26
5cdqC-5xh9A:
21.26
5cdqD-5xh9A:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		4 SER A 128
ASP A  46
ARG A  52
GLY A 120
 None
 0.95A 5cdqA-5xoyA:
3.7
5cdqC-5xoyA:
3.7
5cdqD-5xoyA:
3.3		 5cdqA-5xoyA:
22.15
5cdqC-5xoyA:
22.15
5cdqD-5xoyA:
22.84
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.
5xyh CBSA

(Xanthomonas
oryzae) 		no annotation 4 ARG A 339
ASP A 358
ARG A 360
GLY A 371
 None
 1.01A 5cdqA-5xyhA:
undetectable
5cdqC-5xyhA:
undetectable
5cdqD-5xyhA:
undetectable		 5cdqA-5xyhA:
11.49
5cdqC-5xyhA:
11.49
5cdqD-5xyhA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z72 CCPC

(Bacillus
velezensis) 		no annotation 4 ASP A 157
ARG A 155
GLY A 154
GLU A 268
 None
 0.81A 5cdqA-5z72A:
undetectable
5cdqC-5z72A:
undetectable
5cdqD-5z72A:
undetectable		 5cdqA-5z72A:
8.94
5cdqC-5z72A:
8.94
5cdqD-5z72A:
16.32
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.
5z72 CCPC

(Bacillus
velezensis) 		no annotation 4 ASP A 157
ARG A 155
GLY A 266
GLU A 268
 None
 0.86A 5cdqA-5z72A:
undetectable
5cdqC-5z72A:
undetectable
5cdqD-5z72A:
undetectable		 5cdqA-5z72A:
8.94
5cdqC-5z72A:
8.94
5cdqD-5z72A:
16.32
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 4 SER A  29
ARG A 207
GLY A 205
GLU A 209
 GOL  A 601 ( 4.7A)
None
None
None
 0.95A 5cdqA-5zqjA:
undetectable
5cdqC-5zqjA:
undetectable
5cdqD-5zqjA:
undetectable		 5cdqA-5zqjA:
9.26
5cdqC-5zqjA:
9.26
5cdqD-5zqjA:
16.06
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.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 4 SER A 153
ASP A 598
GLY A 180
GLU A 178
 None
None
SO4  A1001 (-3.3A)
None
 1.07A 5cdqA-6bogA:
4.2
5cdqC-6bogA:
4.2
5cdqD-6bogA:
undetectable		 5cdqA-6bogA:
9.51
5cdqC-6bogA:
9.51
5cdqD-6bogA:
19.02
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 4 SER G 205
ASP G 804
GLY G 500
GLU G 499
 None
 0.91A 5cdqA-6c66G:
undetectable
5cdqC-6c66G:
undetectable
5cdqD-6c66G:
undetectable		 5cdqA-6c66G:
11.40
5cdqC-6c66G:
11.40
5cdqD-6c66G:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6daw NON-HEME IRON
HYDROXYLASE

(Streptomyces
lusitanus) 		no annotation 4 SER A  63
ASP A 275
GLY A 294
GLU A 142
 None
 1.06A 5cdqA-6dawA:
undetectable
5cdqC-6dawA:
undetectable
5cdqD-6dawA:
undetectable		 5cdqA-6dawA:
10.11
5cdqC-6dawA:
10.11
5cdqD-6dawA:
16.67
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.
6dbr -

(-) 		no annotation 4 SER A 712
ASP A 579
ARG A 577
GLY A 532
 None
 1.07A 5cdqA-6dbrA:
2.2
5cdqC-6dbrA:
2.2
5cdqD-6dbrA:
undetectable		 5cdqA-6dbrA:
undetectable
5cdqC-6dbrA:
undetectable
5cdqD-6dbrA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 SER A1280
ASP A 593
ARG A 600
GLY A 440
 None
 0.97A 5cdqA-6fikA:
3.2
5cdqC-6fikA:
3.2
5cdqD-6fikA:
undetectable		 5cdqA-6fikA:
11.34
5cdqC-6fikA:
11.34
5cdqD-6fikA:
15.26