SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_C_TFPC202_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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A  71
SER A 106
PHE A  56
GLU A 191
ASP A 233
 None
None
None
CER  A 413 (-3.7A)
None
 1.42A 3ko0A-1b3nA:
undetectable
3ko0B-1b3nA:
undetectable
3ko0C-1b3nA:
undetectable
3ko0D-1b3nA:
undetectable		 3ko0A-1b3nA:
12.50
3ko0B-1b3nA:
12.50
3ko0C-1b3nA:
12.50
3ko0D-1b3nA:
12.50
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.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN

(Physarum
polycephalum) 		PF13202
(EF-hand_5) 		5 ASP A 252
LEU A 339
SER A 340
PHE A 344
GLU A 343
 None
 1.04A 3ko0A-1ij5A:
7.4
3ko0B-1ij5A:
7.1
3ko0C-1ij5A:
7.1
3ko0D-1ij5A:
7.1		 3ko0A-1ij5A:
17.12
3ko0B-1ij5A:
17.12
3ko0C-1ij5A:
17.12
3ko0D-1ij5A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 SER B 315
LEU B 499
SER B 446
PHE B 500
ASP B 731
 None
 1.46A 3ko0A-1m2vB:
undetectable
3ko0B-1m2vB:
1.3
3ko0C-1m2vB:
1.2
3ko0D-1m2vB:
1.4		 3ko0A-1m2vB:
7.34
3ko0B-1m2vB:
7.34
3ko0C-1m2vB:
7.34
3ko0D-1m2vB:
7.34
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.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		5 ASP A 482
LEU A 436
SER A 486
ILE A 423
ASP A 439
 None
 1.13A 3ko0A-1pz3A:
undetectable
3ko0B-1pz3A:
undetectable
3ko0C-1pz3A:
undetectable
3ko0D-1pz3A:
undetectable		 3ko0A-1pz3A:
12.17
3ko0B-1pz3A:
12.17
3ko0C-1pz3A:
12.17
3ko0D-1pz3A:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 LEU 3 165
SER 3 116
PHE 3 115
CYH 3 216
ASP 1  49
 None
 1.37A 3ko0A-1r1a3:
undetectable
3ko0B-1r1a3:
undetectable
3ko0C-1r1a3:
undetectable
3ko0D-1r1a3:
undetectable		 3ko0A-1r1a3:
17.33
3ko0B-1r1a3:
17.33
3ko0C-1r1a3:
17.33
3ko0D-1r1a3:
17.33
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 SER A 161
ILE A 119
PHE A 198
GLU A 117
ASP A 116
 None
 1.36A 3ko0A-1u08A:
undetectable
3ko0B-1u08A:
0.0
3ko0C-1u08A:
undetectable
3ko0D-1u08A:
undetectable		 3ko0A-1u08A:
13.17
3ko0B-1u08A:
13.17
3ko0C-1u08A:
13.17
3ko0D-1u08A:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 SER A 377
LEU A 350
PHE A 353
ILE A 390
ASP A 342
 None
 1.38A 3ko0A-1uc4A:
undetectable
3ko0B-1uc4A:
0.0
3ko0C-1uc4A:
undetectable
3ko0D-1uc4A:
undetectable		 3ko0A-1uc4A:
9.76
3ko0B-1uc4A:
9.76
3ko0C-1uc4A:
9.76
3ko0D-1uc4A:
9.76
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.
1v38 SAM-DOMAIN PROTEIN
SAMSN-1

(Mus musculus) 		PF07647
(SAM_2) 		5 SER A   6
LEU A  32
ILE A  15
GLU A  37
ASP A  40
 None
 1.44A 3ko0A-1v38A:
undetectable
3ko0B-1v38A:
undetectable
3ko0C-1v38A:
undetectable
3ko0D-1v38A:
undetectable		 3ko0A-1v38A:
20.37
3ko0B-1v38A:
20.37
3ko0C-1v38A:
20.37
3ko0D-1v38A:
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.
1vaz NSFL1 COFACTOR P47

(Rattus
norvegicus) 		PF08059
(SEP) 		5 LEU A  16
SER A  22
PHE A  21
ILE A  43
ASP A  64
 None
 1.48A 3ko0A-1vazA:
undetectable
3ko0B-1vazA:
undetectable
3ko0C-1vazA:
undetectable
3ko0D-1vazA:
undetectable		 3ko0A-1vazA:
23.15
3ko0B-1vazA:
23.15
3ko0C-1vazA:
23.15
3ko0D-1vazA:
23.15
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.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34

(Clostridium
botulinum) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 PHE A 140
SER A 135
LEU A 129
ILE A  82
ASP A 121
 None
 1.31A 3ko0A-1ybiA:
undetectable
3ko0B-1ybiA:
undetectable
3ko0C-1ybiA:
undetectable
3ko0D-1ybiA:
undetectable		 3ko0A-1ybiA:
14.58
3ko0B-1ybiA:
14.58
3ko0C-1ybiA:
14.58
3ko0D-1ybiA:
14.58
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 177
SER A 178
PHE A 182
ILE A 185
GLU A 181
 None
 1.10A 3ko0A-1ykwA:
undetectable
3ko0B-1ykwA:
undetectable
3ko0C-1ykwA:
undetectable
3ko0D-1ykwA:
undetectable		 3ko0A-1ykwA:
12.47
3ko0B-1ykwA:
12.47
3ko0C-1ykwA:
12.47
3ko0D-1ykwA:
12.47
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 PHE A 186
ASP A  86
ILE A 195
GLU A 203
ASP A  64
 None
 1.33A 3ko0A-1ytmA:
undetectable
3ko0B-1ytmA:
undetectable
3ko0C-1ytmA:
undetectable
3ko0D-1ytmA:
undetectable		 3ko0A-1ytmA:
11.22
3ko0B-1ytmA:
11.22
3ko0C-1ytmA:
11.22
3ko0D-1ytmA:
11.22
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.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 LEU A  25
SER A  24
ILE A  36
CYH A  10
ASP A  13
 None
 1.16A 3ko0A-1zzmA:
undetectable
3ko0B-1zzmA:
0.0
3ko0C-1zzmA:
undetectable
3ko0D-1zzmA:
undetectable		 3ko0A-1zzmA:
14.89
3ko0B-1zzmA:
14.89
3ko0C-1zzmA:
14.89
3ko0D-1zzmA:
14.89
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.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		5 SER A 191
LEU A 207
SER A 186
ILE A  65
CYH A  97
 None
 1.35A 3ko0A-2dg2A:
undetectable
3ko0B-2dg2A:
undetectable
3ko0C-2dg2A:
undetectable
3ko0D-2dg2A:
undetectable		 3ko0A-2dg2A:
15.35
3ko0B-2dg2A:
15.35
3ko0C-2dg2A:
15.35
3ko0D-2dg2A:
15.35
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 SER A 162
LEU A 186
SER A 185
ILE A   3
PHE A  38
 None
 1.34A 3ko0A-2nuxA:
undetectable
3ko0B-2nuxA:
undetectable
3ko0C-2nuxA:
undetectable
3ko0D-2nuxA:
undetectable		 3ko0A-2nuxA:
16.38
3ko0B-2nuxA:
16.38
3ko0C-2nuxA:
16.38
3ko0D-2nuxA:
16.38
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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 LEU A 176
SER A 177
ILE A 184
GLU A 180
ASP A 148
 None
CL  A 601 ( 4.1A)
None
None
None
 1.32A 3ko0A-2o0rA:
undetectable
3ko0B-2o0rA:
0.0
3ko0C-2o0rA:
undetectable
3ko0D-2o0rA:
undetectable		 3ko0A-2o0rA:
13.37
3ko0B-2o0rA:
13.37
3ko0C-2o0rA:
13.37
3ko0D-2o0rA:
13.37
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 LEU A 154
ILE A 184
PHE A 223
GLU A 180
ASP A 178
 None
 1.39A 3ko0A-2qhpA:
undetectable
3ko0B-2qhpA:
undetectable
3ko0C-2qhpA:
undetectable
3ko0D-2qhpA:
undetectable		 3ko0A-2qhpA:
16.61
3ko0B-2qhpA:
16.61
3ko0C-2qhpA:
16.61
3ko0D-2qhpA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qoj INTRON-ENCODED DNA
ENDONUCLEASE I-ANII

(Aspergillus
nidulans) 		PF00961
(LAGLIDADG_1) 		5 PHE Z 187
SER Z 205
LEU Z 216
PHE Z 215
ILE Z 145
 None
 1.43A 3ko0A-2qojZ:
undetectable
3ko0B-2qojZ:
undetectable
3ko0C-2qojZ:
undetectable
3ko0D-2qojZ:
undetectable		 3ko0A-2qojZ:
17.93
3ko0B-2qojZ:
17.93
3ko0C-2qojZ:
17.93
3ko0D-2qojZ:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1

(Gallus gallus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		5 LEU A 149
SER A 150
PHE A 154
ILE A 141
GLU A 153
 None
None
None
None
CA  A 502 (-2.3A)
 1.38A 3ko0A-2r2iA:
6.8
3ko0B-2r2iA:
6.6
3ko0C-2r2iA:
6.7
3ko0D-2r2iA:
6.7		 3ko0A-2r2iA:
16.32
3ko0B-2r2iA:
16.32
3ko0C-2r2iA:
16.32
3ko0D-2r2iA:
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 PHE A 751
LEU A 738
ILE A 769
PHE A 705
ASP A 748
 None
 1.21A 3ko0A-2v26A:
undetectable
3ko0B-2v26A:
1.5
3ko0C-2v26A:
0.1
3ko0D-2v26A:
0.1		 3ko0A-2v26A:
9.24
3ko0B-2v26A:
9.24
3ko0C-2v26A:
9.24
3ko0D-2v26A:
9.24
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.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		5 ASP A 141
LEU A 363
ILE A 398
PHE A 107
ASP A 402
 None
 1.13A 3ko0A-2wn4A:
undetectable
3ko0B-2wn4A:
undetectable
3ko0C-2wn4A:
undetectable
3ko0D-2wn4A:
undetectable		 3ko0A-2wn4A:
13.10
3ko0B-2wn4A:
13.10
3ko0C-2wn4A:
13.10
3ko0D-2wn4A:
13.10
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 PHE A 182
SER A 227
LEU A 107
PHE A 149
ILE A 136
 None
 1.28A 3ko0A-3ayrA:
undetectable
3ko0B-3ayrA:
undetectable
3ko0C-3ayrA:
undetectable
3ko0D-3ayrA:
undetectable		 3ko0A-3ayrA:
14.80
3ko0B-3ayrA:
14.80
3ko0C-3ayrA:
14.80
3ko0D-3ayrA:
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.
3buz IOTA TOXIN COMPONENT
IA

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		5 ASP A 134
LEU A 356
ILE A 391
PHE A 100
ASP A 395
 None
 1.18A 3ko0A-3buzA:
undetectable
3ko0B-3buzA:
undetectable
3ko0C-3buzA:
undetectable
3ko0D-3buzA:
undetectable		 3ko0A-3buzA:
12.71
3ko0B-3buzA:
12.71
3ko0C-3buzA:
12.71
3ko0D-3buzA:
12.71
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.21A 3ko0A-3eafA:
undetectable
3ko0B-3eafA:
undetectable
3ko0C-3eafA:
undetectable
3ko0D-3eafA:
undetectable		 3ko0A-3eafA:
12.92
3ko0B-3eafA:
12.92
3ko0C-3eafA:
12.92
3ko0D-3eafA:
12.92
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.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		5 ASP X 250
SER X 253
SER X 268
PHE X 281
GLU X 282
 NAI  X 401 ( 4.5A)
None
None
None
NAI  X 401 ( 3.2A)
 1.31A 3ko0A-3fmxX:
undetectable
3ko0B-3fmxX:
0.0
3ko0C-3fmxX:
undetectable
3ko0D-3fmxX:
undetectable		 3ko0A-3fmxX:
13.35
3ko0B-3fmxX:
13.35
3ko0C-3fmxX:
13.35
3ko0D-3fmxX:
13.35
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 PHE A 240
ASP A 172
LEU A 181
SER A 178
ILE A  68
 None
 1.13A 3ko0A-3hwpA:
undetectable
3ko0B-3hwpA:
undetectable
3ko0C-3hwpA:
undetectable
3ko0D-3hwpA:
undetectable		 3ko0A-3hwpA:
15.77
3ko0B-3hwpA:
15.77
3ko0C-3hwpA:
15.77
3ko0D-3hwpA:
15.77
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 LEU A 289
SER A 285
PHE A 288
ILE A 251
ASP A 229
 None
None
None
None
FE  A 334 (-3.1A)
 1.26A 3ko0A-3ktcA:
undetectable
3ko0B-3ktcA:
undetectable
3ko0C-3ktcA:
undetectable
3ko0D-3ktcA:
undetectable		 3ko0A-3ktcA:
16.22
3ko0B-3ktcA:
16.22
3ko0C-3ktcA:
16.22
3ko0D-3ktcA:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lb6 INTERLEUKIN-13

(Homo sapiens) 		PF03487
(IL13) 		5 LEU A  83
SER A  82
ILE A  37
PHE A  70
GLU A  49
 None
 1.42A 3ko0A-3lb6A:
undetectable
3ko0B-3lb6A:
undetectable
3ko0C-3lb6A:
undetectable
3ko0D-3lb6A:
undetectable		 3ko0A-3lb6A:
21.58
3ko0B-3lb6A:
21.58
3ko0C-3lb6A:
21.58
3ko0D-3lb6A:
21.58
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.
3oqv ALBC

(Streptomyces
noursei) 		PF16715
(CDPS) 		5 LEU A 212
SER A 213
PHE A 211
ILE A 208
ASP A 205
 None
None
None
DTD  A 248 ( 4.1A)
None
 1.23A 3ko0A-3oqvA:
undetectable
3ko0B-3oqvA:
undetectable
3ko0C-3oqvA:
undetectable
3ko0D-3oqvA:
undetectable		 3ko0A-3oqvA:
15.73
3ko0B-3oqvA:
15.73
3ko0C-3oqvA:
15.73
3ko0D-3oqvA:
15.73
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 LEU A 332
PHE A 331
ILE A 314
PHE A 293
ASP A 344
 None
 1.40A 3ko0A-3rreA:
undetectable
3ko0B-3rreA:
undetectable
3ko0C-3rreA:
undetectable
3ko0D-3rreA:
undetectable		 3ko0A-3rreA:
11.38
3ko0B-3rreA:
11.38
3ko0C-3rreA:
11.38
3ko0D-3rreA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t79 KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		5 LEU A 340
SER A 343
ILE A 199
CYH A 197
PHE A 195
 None
 1.49A 3ko0A-3t79A:
undetectable
3ko0B-3t79A:
0.0
3ko0C-3t79A:
undetectable
3ko0D-3t79A:
undetectable		 3ko0A-3t79A:
13.68
3ko0B-3t79A:
13.68
3ko0C-3t79A:
13.68
3ko0D-3t79A:
13.68
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 PHE A 291
SER A 260
LEU A 242
SER A 188
ILE A 236
 None
 1.42A 3ko0A-3upyA:
undetectable
3ko0B-3upyA:
undetectable
3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable		 3ko0A-3upyA:
12.68
3ko0B-3upyA:
12.68
3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 PHE A 291
SER A 260
SER A 188
ILE A 236
CYH A 172
 None
 1.39A 3ko0A-3upyA:
undetectable
3ko0B-3upyA:
undetectable
3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable		 3ko0A-3upyA:
12.68
3ko0B-3upyA:
12.68
3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 LEU A 365
ILE A 452
PHE A 459
GLU A 346
ASP A 427
 None
 1.43A 3ko0A-3wiqA:
undetectable
3ko0B-3wiqA:
undetectable
3ko0C-3wiqA:
undetectable
3ko0D-3wiqA:
undetectable		 3ko0A-3wiqA:
9.49
3ko0B-3wiqA:
9.49
3ko0C-3wiqA:
9.49
3ko0D-3wiqA:
9.49
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 SER A 393
LEU A 365
PHE A 459
GLU A 346
ASP A 427
 None
 1.37A 3ko0A-3wiqA:
undetectable
3ko0B-3wiqA:
undetectable
3ko0C-3wiqA:
undetectable
3ko0D-3wiqA:
undetectable		 3ko0A-3wiqA:
9.49
3ko0B-3wiqA:
9.49
3ko0C-3wiqA:
9.49
3ko0D-3wiqA:
9.49
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 ASP A 325
LEU A 334
PHE A 333
ILE A 236
PHE A 264
 None
 1.18A 3ko0A-3wnpA:
undetectable
3ko0B-3wnpA:
undetectable
3ko0C-3wnpA:
undetectable
3ko0D-3wnpA:
undetectable		 3ko0A-3wnpA:
9.04
3ko0B-3wnpA:
9.04
3ko0C-3wnpA:
9.04
3ko0D-3wnpA:
9.04
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.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 ASP A 163
SER A 162
LEU A 103
ILE A  14
PHE A 167
 None
 1.40A 3ko0A-3wrvA:
undetectable
3ko0B-3wrvA:
undetectable
3ko0C-3wrvA:
undetectable
3ko0D-3wrvA:
undetectable		 3ko0A-3wrvA:
20.00
3ko0B-3wrvA:
20.00
3ko0C-3wrvA:
20.00
3ko0D-3wrvA:
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.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 ASP A 163
SER A 162
LEU A 107
ILE A  14
PHE A 167
 None
 1.35A 3ko0A-3wrvA:
undetectable
3ko0B-3wrvA:
undetectable
3ko0C-3wrvA:
undetectable
3ko0D-3wrvA:
undetectable		 3ko0A-3wrvA:
20.00
3ko0B-3wrvA:
20.00
3ko0C-3wrvA:
20.00
3ko0D-3wrvA:
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 PHE A 751
LEU A 738
ILE A 769
PHE A 705
ASP A 748
 None
 1.30A 3ko0A-4anjA:
undetectable
3ko0B-4anjA:
undetectable
3ko0C-4anjA:
undetectable
3ko0D-4anjA:
undetectable		 3ko0A-4anjA:
6.93
3ko0B-4anjA:
6.93
3ko0C-4anjA:
6.93
3ko0D-4anjA:
6.93
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ASP A 363
SER A 361
LEU A  99
SER A  62
ILE A  73
 None
 1.38A 3ko0A-4ay1A:
undetectable
3ko0B-4ay1A:
undetectable
3ko0C-4ay1A:
undetectable
3ko0D-4ay1A:
undetectable		 3ko0A-4ay1A:
13.70
3ko0B-4ay1A:
13.70
3ko0C-4ay1A:
13.70
3ko0D-4ay1A:
13.70
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ASP A 351
LEU A 332
PHE A 327
ILE A 325
ASP A 318
 None
 1.25A 3ko0A-4bhdA:
undetectable
3ko0B-4bhdA:
undetectable
3ko0C-4bhdA:
undetectable
3ko0D-4bhdA:
undetectable		 3ko0A-4bhdA:
12.38
3ko0B-4bhdA:
12.38
3ko0C-4bhdA:
12.38
3ko0D-4bhdA:
12.38
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.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 ASP A 173
SER A  79
LEU A  19
ILE A 210
ASP A 179
 None
 1.45A 3ko0A-4bqnA:
undetectable
3ko0B-4bqnA:
undetectable
3ko0C-4bqnA:
undetectable
3ko0D-4bqnA:
undetectable		 3ko0A-4bqnA:
17.38
3ko0B-4bqnA:
17.38
3ko0C-4bqnA:
17.38
3ko0D-4bqnA:
17.38
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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 LEU A 217
SER A 218
PHE A 222
ILE A 225
GLU A 221
 None
 1.08A 3ko0A-4chlA:
undetectable
3ko0B-4chlA:
undetectable
3ko0C-4chlA:
undetectable
3ko0D-4chlA:
undetectable		 3ko0A-4chlA:
16.32
3ko0B-4chlA:
16.32
3ko0C-4chlA:
16.32
3ko0D-4chlA:
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.
4dth VGRG PROTEIN

(Vibrio cholerae) 		PF16671
(ACD) 		5 LEU A 347
SER A 349
ILE A  13
CYH A  84
ASP A  87
 None
 1.35A 3ko0A-4dthA:
undetectable
3ko0B-4dthA:
undetectable
3ko0C-4dthA:
undetectable
3ko0D-4dthA:
undetectable		 3ko0A-4dthA:
13.44
3ko0B-4dthA:
13.44
3ko0C-4dthA:
13.44
3ko0D-4dthA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 PHE A 426
ASP A 421
LEU A 727
SER A 729
ASP A 676
 None
 1.28A 3ko0A-4ecoA:
undetectable
3ko0B-4ecoA:
undetectable
3ko0C-4ecoA:
undetectable
3ko0D-4ecoA:
undetectable		 3ko0A-4ecoA:
11.07
3ko0B-4ecoA:
11.07
3ko0C-4ecoA:
11.07
3ko0D-4ecoA:
11.07
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 LEU A 228
SER A 231
ILE A 288
PHE A 252
GLU A 214
 None
 1.22A 3ko0A-4fidA:
undetectable
3ko0B-4fidA:
undetectable
3ko0C-4fidA:
undetectable
3ko0D-4fidA:
undetectable		 3ko0A-4fidA:
15.16
3ko0B-4fidA:
15.16
3ko0C-4fidA:
15.16
3ko0D-4fidA:
15.16
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 PHE A 208
LEU A 228
SER A 231
PHE A 252
GLU A 214
 None
 1.19A 3ko0A-4fidA:
undetectable
3ko0B-4fidA:
undetectable
3ko0C-4fidA:
undetectable
3ko0D-4fidA:
undetectable		 3ko0A-4fidA:
15.16
3ko0B-4fidA:
15.16
3ko0C-4fidA:
15.16
3ko0D-4fidA:
15.16
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.
4hlu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA

(Thermotoga
maritima) 		no annotation 5 LEU D1018
SER D1009
PHE D1010
ILE D1047
PHE D1059
 None
 1.40A 3ko0A-4hluD:
undetectable
3ko0B-4hluD:
undetectable
3ko0C-4hluD:
undetectable
3ko0D-4hluD:
undetectable		 3ko0A-4hluD:
18.46
3ko0B-4hluD:
18.46
3ko0C-4hluD:
18.46
3ko0D-4hluD:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ASP A 495
LEU A 596
ILE A 509
CYH A 512
PHE A 515
 1B2  A 802 (-3.6A)
None
None
None
None
 1.24A 3ko0A-4hwtA:
1.2
3ko0B-4hwtA:
1.2
3ko0C-4hwtA:
1.1
3ko0D-4hwtA:
1.1		 3ko0A-4hwtA:
14.49
3ko0B-4hwtA:
14.49
3ko0C-4hwtA:
14.49
3ko0D-4hwtA:
14.49
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.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		5 LEU A 109
SER A 110
ILE A  72
GLU A  68
ASP A  67
 None
 1.41A 3ko0A-4ihqA:
undetectable
3ko0B-4ihqA:
undetectable
3ko0C-4ihqA:
undetectable
3ko0D-4ihqA:
undetectable		 3ko0A-4ihqA:
11.98
3ko0B-4ihqA:
11.98
3ko0C-4ihqA:
11.98
3ko0D-4ihqA:
11.98
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.
4jhi MTN13 PROTEIN

(Medicago
truncatula) 		PF00407
(Bet_v_1) 		5 LEU A 152
SER A 150
PHE A 151
ILE A  30
PHE A  38
 None
 1.19A 3ko0A-4jhiA:
undetectable
3ko0B-4jhiA:
undetectable
3ko0C-4jhiA:
undetectable
3ko0D-4jhiA:
undetectable		 3ko0A-4jhiA:
18.29
3ko0B-4jhiA:
18.29
3ko0C-4jhiA:
18.29
3ko0D-4jhiA:
18.29
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 SER A 383
LEU A 355
PHE A 451
GLU A 336
ASP A 419
 None
 1.39A 3ko0A-4ktpA:
undetectable
3ko0B-4ktpA:
undetectable
3ko0C-4ktpA:
undetectable
3ko0D-4ktpA:
undetectable		 3ko0A-4ktpA:
7.74
3ko0B-4ktpA:
7.74
3ko0C-4ktpA:
7.74
3ko0D-4ktpA:
7.74
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 ASP A 296
SER A 300
SER A 308
ILE A 363
GLU A 362
 None
 1.29A 3ko0A-4mndA:
undetectable
3ko0B-4mndA:
undetectable
3ko0C-4mndA:
undetectable
3ko0D-4mndA:
undetectable		 3ko0A-4mndA:
12.84
3ko0B-4mndA:
12.84
3ko0C-4mndA:
12.84
3ko0D-4mndA:
12.84
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.
4n5a PROTEIN EFR3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 174
LEU A 251
SER A 253
PHE A 255
PHE A 190
 None
 1.33A 3ko0A-4n5aA:
undetectable
3ko0B-4n5aA:
1.5
3ko0C-4n5aA:
undetectable
3ko0D-4n5aA:
1.5		 3ko0A-4n5aA:
11.95
3ko0B-4n5aA:
11.95
3ko0C-4n5aA:
11.95
3ko0D-4n5aA:
11.95
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.
4nt9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ASP B 160
LEU B  82
SER B 151
ILE B  74
PHE B 187
 ZN  B 301 (-2.5A)
None
ACT  B 302 (-2.6A)
None
None
 1.46A 3ko0A-4nt9B:
undetectable
3ko0B-4nt9B:
undetectable
3ko0C-4nt9B:
undetectable
3ko0D-4nt9B:
undetectable		 3ko0A-4nt9B:
16.82
3ko0B-4nt9B:
16.82
3ko0C-4nt9B:
16.82
3ko0D-4nt9B:
16.82
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.
4o8v ALGINATE
BIOSYNTHESIS PROTEIN
ALGJ

(Pseudomonas
putida) 		PF16822
(ALGX) 		5 ASP A 171
LEU A 349
PHE A 344
ILE A 112
PHE A 168
 None
 1.27A 3ko0A-4o8vA:
undetectable
3ko0B-4o8vA:
undetectable
3ko0C-4o8vA:
undetectable
3ko0D-4o8vA:
undetectable		 3ko0A-4o8vA:
16.23
3ko0B-4o8vA:
16.23
3ko0C-4o8vA:
16.23
3ko0D-4o8vA:
16.23
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 PHE A 260
ASP A 248
LEU A 304
ILE A 276
CYH A 242
 None
 1.42A 3ko0A-4ojxA:
undetectable
3ko0B-4ojxA:
undetectable
3ko0C-4ojxA:
undetectable
3ko0D-4ojxA:
undetectable		 3ko0A-4ojxA:
14.45
3ko0B-4ojxA:
14.45
3ko0C-4ojxA:
14.45
3ko0D-4ojxA:
14.45
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 SER A 189
LEU A 227
SER A 226
PHE A 238
ILE A 273
 None
 1.30A 3ko0A-4ojzA:
undetectable
3ko0B-4ojzA:
undetectable
3ko0C-4ojzA:
undetectable
3ko0D-4ojzA:
undetectable		 3ko0A-4ojzA:
8.97
3ko0B-4ojzA:
8.97
3ko0C-4ojzA:
8.97
3ko0D-4ojzA:
8.97
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.
4p7l POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF14883
(GHL13) 		5 PHE A 553
ASP A 466
ILE A 545
PHE A 560
GLU A 576
 None
 1.40A 3ko0A-4p7lA:
undetectable
3ko0B-4p7lA:
undetectable
3ko0C-4p7lA:
undetectable
3ko0D-4p7lA:
undetectable		 3ko0A-4p7lA:
15.25
3ko0B-4p7lA:
15.25
3ko0C-4p7lA:
15.25
3ko0D-4p7lA:
15.25
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.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 PHE A  65
LEU A  70
SER A  67
ILE A 292
GLU A 132
 UNX  A 408 ( 4.8A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
 1.20A 3ko0A-4pwyA:
undetectable
3ko0B-4pwyA:
undetectable
3ko0C-4pwyA:
undetectable
3ko0D-4pwyA:
undetectable		 3ko0A-4pwyA:
18.85
3ko0B-4pwyA:
18.85
3ko0C-4pwyA:
18.85
3ko0D-4pwyA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ASP A2537
LEU A2506
ILE A2526
PHE A2572
GLU A2530
 None
 1.43A 3ko0A-4rh7A:
undetectable
3ko0B-4rh7A:
undetectable
3ko0C-4rh7A:
undetectable
3ko0D-4rh7A:
undetectable		 3ko0A-4rh7A:
2.91
3ko0B-4rh7A:
2.91
3ko0C-4rh7A:
2.91
3ko0D-4rh7A:
2.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 PHE A 420
ASP A 346
SER A 363
SER A 368
ILE A 413
 None
 1.17A 3ko0A-4u3tA:
undetectable
3ko0B-4u3tA:
undetectable
3ko0C-4u3tA:
undetectable
3ko0D-4u3tA:
undetectable		 3ko0A-4u3tA:
15.76
3ko0B-4u3tA:
15.76
3ko0C-4u3tA:
15.76
3ko0D-4u3tA:
15.76
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A 467
LEU A 262
SER A 258
GLU A 261
ASP A 473
 None
 1.46A 3ko0A-4upiA:
undetectable
3ko0B-4upiA:
undetectable
3ko0C-4upiA:
undetectable
3ko0D-4upiA:
undetectable		 3ko0A-4upiA:
10.66
3ko0B-4upiA:
10.66
3ko0C-4upiA:
10.66
3ko0D-4upiA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ASP A 169
PHE A 355
ILE A 360
GLU A 356
ASP A 281
 None
EDO  A 403 ( 4.8A)
None
None
None
 1.25A 3ko0A-4wzzA:
undetectable
3ko0B-4wzzA:
undetectable
3ko0C-4wzzA:
undetectable
3ko0D-4wzzA:
undetectable		 3ko0A-4wzzA:
13.01
3ko0B-4wzzA:
13.01
3ko0C-4wzzA:
13.01
3ko0D-4wzzA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 ASP A 172
SER A  49
SER A  79
ILE A  94
GLU A  71
 None
SAM  A1001 (-2.4A)
SAM  A1001 (-2.7A)
None
SAM  A1001 ( 4.4A)
 1.46A 3ko0A-4ymgA:
undetectable
3ko0B-4ymgA:
undetectable
3ko0C-4ymgA:
undetectable
3ko0D-4ymgA:
undetectable		 3ko0A-4ymgA:
18.38
3ko0B-4ymgA:
18.38
3ko0C-4ymgA:
18.38
3ko0D-4ymgA:
18.38
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.
5a49 MATERNAL EFFECT
PROTEIN OSKAR

(Drosophila
melanogaster) 		PF12872
(OST-HTH) 		5 PHE A 189
LEU A 184
ILE A 163
GLU A 159
ASP A 157
 None
 1.39A 3ko0A-5a49A:
undetectable
3ko0B-5a49A:
undetectable
3ko0C-5a49A:
undetectable
3ko0D-5a49A:
undetectable		 3ko0A-5a49A:
20.59
3ko0B-5a49A:
20.59
3ko0C-5a49A:
20.59
3ko0D-5a49A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 ASP A 593
LEU A 735
ILE A  21
PHE A 115
GLU A 724
 None
 1.27A 3ko0A-5ah5A:
undetectable
3ko0B-5ah5A:
undetectable
3ko0C-5ah5A:
undetectable
3ko0D-5ah5A:
undetectable		 3ko0A-5ah5A:
7.86
3ko0B-5ah5A:
7.86
3ko0C-5ah5A:
7.86
3ko0D-5ah5A:
7.86
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 ASP A 417
SER A 403
LEU A  26
ILE A  61
GLU A  23
 None
 1.29A 3ko0A-5cykA:
undetectable
3ko0B-5cykA:
undetectable
3ko0C-5cykA:
undetectable
3ko0D-5cykA:
undetectable		 3ko0A-5cykA:
10.91
3ko0B-5cykA:
10.91
3ko0C-5cykA:
10.91
3ko0D-5cykA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 PHE A 947
LEU A1021
ILE A 957
GLU A 953
ASP A 952
 None
 1.30A 3ko0A-5ehkA:
undetectable
3ko0B-5ehkA:
undetectable
3ko0C-5ehkA:
undetectable
3ko0D-5ehkA:
undetectable		 3ko0A-5ehkA:
6.15
3ko0B-5ehkA:
6.15
3ko0C-5ehkA:
6.15
3ko0D-5ehkA:
6.15
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.
5g39 PHOTOSYSTEM II
MANGANESE-STABILIZIN
G POLYPEPTIDE

(Thermosynechococcus
elongatus) 		PF01716
(MSP) 		5 PHE A 113
SER A 172
LEU A 118
ILE A  74
ASP A  95
 None
 1.44A 3ko0A-5g39A:
undetectable
3ko0B-5g39A:
undetectable
3ko0C-5g39A:
undetectable
3ko0D-5g39A:
undetectable		 3ko0A-5g39A:
20.48
3ko0B-5g39A:
20.48
3ko0C-5g39A:
20.48
3ko0D-5g39A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		PF00180
(Iso_dh) 		5 SER A 233
SER A 248
PHE A 259
ILE A 258
GLU A 260
 MG  A 401 ( 4.2A)
None
None
None
None
 1.29A 3ko0A-5griA:
undetectable
3ko0B-5griA:
undetectable
3ko0C-5griA:
undetectable
3ko0D-5griA:
undetectable		 3ko0A-5griA:
13.99
3ko0B-5griA:
13.99
3ko0C-5griA:
13.99
3ko0D-5griA:
13.99
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.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		5 SER A 164
LEU A  94
SER A  95
PHE A  69
ILE A  74
 None
 1.10A 3ko0A-5hyhA:
undetectable
3ko0B-5hyhA:
undetectable
3ko0C-5hyhA:
undetectable
3ko0D-5hyhA:
undetectable		 3ko0A-5hyhA:
14.19
3ko0B-5hyhA:
14.19
3ko0C-5hyhA:
14.19
3ko0D-5hyhA:
14.19
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		5 SER A  90
ILE A  97
CYH A 108
PHE A 112
GLU A  94
 None
 1.30A 3ko0A-5k04A:
undetectable
3ko0B-5k04A:
undetectable
3ko0C-5k04A:
1.5
3ko0D-5k04A:
undetectable		 3ko0A-5k04A:
9.64
3ko0B-5k04A:
9.64
3ko0C-5k04A:
9.64
3ko0D-5k04A:
9.64
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 420
ASP A 346
SER A 363
SER A 368
ILE A 413
 None
 1.19A 3ko0A-5kshA:
undetectable
3ko0B-5kshA:
undetectable
3ko0C-5kshA:
undetectable
3ko0D-5kshA:
undetectable		 3ko0A-5kshA:
10.70
3ko0B-5kshA:
10.70
3ko0C-5kshA:
10.70
3ko0D-5kshA:
10.70
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.
5lnb UBIQUITIN-LIKE-SPECI
FIC PROTEASE 2

(Saccharomyces
cerevisiae) 		PF02902
(Peptidase_C48) 		5 ASP B  59
LEU B  91
PHE B 185
ILE B 182
CYH B 130
 None
 1.38A 3ko0A-5lnbB:
undetectable
3ko0B-5lnbB:
undetectable
3ko0C-5lnbB:
undetectable
3ko0D-5lnbB:
undetectable		 3ko0A-5lnbB:
16.50
3ko0B-5lnbB:
16.50
3ko0C-5lnbB:
16.50
3ko0D-5lnbB:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 ASP A 799
SER A 766
LEU A  65
ILE A  94
GLU A 309
 None
None
CZA  A1002 (-4.1A)
None
None
 1.33A 3ko0A-5mpmA:
undetectable
3ko0B-5mpmA:
undetectable
3ko0C-5mpmA:
undetectable
3ko0D-5mpmA:
1.0		 3ko0A-5mpmA:
24.47
3ko0B-5mpmA:
24.47
3ko0C-5mpmA:
24.47
3ko0D-5mpmA:
24.47
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.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 SER A 153
LEU A 132
SER A 172
PHE A 173
GLU A 135
 None
 1.30A 3ko0A-5n6mA:
1.5
3ko0B-5n6mA:
1.6
3ko0C-5n6mA:
undetectable
3ko0D-5n6mA:
1.3		 3ko0A-5n6mA:
10.32
3ko0B-5n6mA:
10.32
3ko0C-5n6mA:
10.32
3ko0D-5n6mA:
10.32
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.
5uxv SENSORY TRANSDUCTION
REGULATORY PROTEIN

(Bartonella
quintana) 		no annotation 5 ASP A  65
SER A  89
LEU A 127
PHE A  99
ILE A 102
 None
 1.03A 3ko0A-5uxvA:
undetectable
3ko0B-5uxvA:
undetectable
3ko0C-5uxvA:
undetectable
3ko0D-5uxvA:
undetectable		 3ko0A-5uxvA:
17.59
3ko0B-5uxvA:
17.59
3ko0C-5uxvA:
17.59
3ko0D-5uxvA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v07 EXONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 PHE Z 215
SER Z 222
LEU Z   7
ILE Z 195
ASP Z 171
 None
None
None
None
MN  Z 401 (-2.7A)
 1.27A 3ko0A-5v07Z:
undetectable
3ko0B-5v07Z:
undetectable
3ko0C-5v07Z:
undetectable
3ko0D-5v07Z:
undetectable		 3ko0A-5v07Z:
14.45
3ko0B-5v07Z:
14.45
3ko0C-5v07Z:
14.45
3ko0D-5v07Z:
14.45
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.
5wmb DNA REPAIR PROTEIN
REV1

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 633
ASP A 640
LEU A 316
PHE A 315
ILE A 627
 None
None
None
EDO  A 815 ( 4.8A)
None
 1.21A 3ko0A-5wmbA:
undetectable
3ko0B-5wmbA:
undetectable
3ko0C-5wmbA:
undetectable
3ko0D-5wmbA:
undetectable		 3ko0A-5wmbA:
13.36
3ko0B-5wmbA:
13.36
3ko0C-5wmbA:
13.36
3ko0D-5wmbA:
13.36
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 PHE B 296
SER B 241
LEU B 331
ILE B 335
PHE B 289
 None
 1.33A 3ko0A-6d6uB:
1.8
3ko0B-6d6uB:
undetectable
3ko0C-6d6uB:
1.8
3ko0D-6d6uB:
1.9		 3ko0A-6d6uB:
20.39
3ko0B-6d6uB:
20.39
3ko0C-6d6uB:
20.39
3ko0D-6d6uB:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dub -

(-) 		no annotation 5 SER A  94
LEU A 105
PHE A 104
ILE A 219
ASP A 122
 None
None
UNX  A 304 ( 4.8A)
None
SAH  A 301 ( 4.9A)
 1.10A 3ko0A-6dubA:
undetectable
3ko0B-6dubA:
undetectable
3ko0C-6dubA:
undetectable
3ko0D-6dubA:
undetectable		 3ko0A-6dubA:
undetectable
3ko0B-6dubA:
undetectable
3ko0C-6dubA:
undetectable
3ko0D-6dubA:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 5 ASP B 112
LEU B 102
PHE B 103
ILE B 262
PHE B 254
 None
 1.08A 3ko0A-6evjB:
undetectable
3ko0B-6evjB:
undetectable
3ko0C-6evjB:
undetectable
3ko0D-6evjB:
undetectable		 3ko0A-6evjB:
17.92
3ko0B-6evjB:
17.92
3ko0C-6evjB:
17.92
3ko0D-6evjB:
17.92