SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_E_TFPE202

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.
1ag9 FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 SER A 130
LEU A 142
PHE A  86
ILE A  18
ASP A 145
 None
 1.24A 3ko0C-1ag9A:
undetectable
3ko0D-1ag9A:
undetectable
3ko0E-1ag9A:
undetectable
3ko0F-1ag9A:
undetectable		 3ko0C-1ag9A:
22.70
3ko0D-1ag9A:
22.70
3ko0E-1ag9A:
22.70
3ko0F-1ag9A:
22.70
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.
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
 1.11A 3ko0C-1ij5A:
7.1
3ko0D-1ij5A:
7.1
3ko0E-1ij5A:
6.9
3ko0F-1ij5A:
7.4		 3ko0C-1ij5A:
17.12
3ko0D-1ij5A:
17.12
3ko0E-1ij5A:
17.12
3ko0F-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.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		5 SER A 184
PHE A 323
LEU A 314
ILE A  83
ASP A 319
 None
 1.27A 3ko0C-1imvA:
undetectable
3ko0D-1imvA:
undetectable
3ko0E-1imvA:
undetectable
3ko0F-1imvA:
undetectable		 3ko0C-1imvA:
13.28
3ko0D-1imvA:
13.28
3ko0E-1imvA:
13.28
3ko0F-1imvA:
13.28
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.
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
 1.10A 3ko0C-1pz3A:
undetectable
3ko0D-1pz3A:
undetectable
3ko0E-1pz3A:
undetectable
3ko0F-1pz3A:
undetectable		 3ko0C-1pz3A:
12.17
3ko0D-1pz3A:
12.17
3ko0E-1pz3A:
12.17
3ko0F-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.
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
 1.39A 3ko0C-1u08A:
undetectable
3ko0D-1u08A:
undetectable
3ko0E-1u08A:
0.0
3ko0F-1u08A:
undetectable		 3ko0C-1u08A:
13.17
3ko0D-1u08A:
13.17
3ko0E-1u08A:
13.17
3ko0F-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.
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
 1.36A 3ko0C-1v38A:
undetectable
3ko0D-1v38A:
undetectable
3ko0E-1v38A:
undetectable
3ko0F-1v38A:
undetectable		 3ko0C-1v38A:
20.37
3ko0D-1v38A:
20.37
3ko0E-1v38A:
20.37
3ko0F-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.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34

(Clostridium
botulinum) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 SER A 135
PHE A 140
LEU A 129
ILE A  82
ASP A 121
 None
 1.27A 3ko0C-1ybiA:
undetectable
3ko0D-1ybiA:
undetectable
3ko0E-1ybiA:
undetectable
3ko0F-1ybiA:
undetectable		 3ko0C-1ybiA:
14.58
3ko0D-1ybiA:
14.58
3ko0E-1ybiA:
14.58
3ko0F-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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylococcus
capsulatus) 		PF02461
(AMO) 		5 LEU B 167
SER B 179
ILE B 164
PHE B 243
ASP B  56
 None
 1.38A 3ko0C-1yewB:
1.2
3ko0D-1yewB:
1.1
3ko0E-1yewB:
1.1
3ko0F-1yewB:
1.3		 3ko0C-1yewB:
16.80
3ko0D-1yewB:
16.80
3ko0E-1yewB:
16.80
3ko0F-1yewB:
16.80
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.
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
 1.19A 3ko0C-1ykwA:
undetectable
3ko0D-1ykwA:
undetectable
3ko0E-1ykwA:
undetectable
3ko0F-1ykwA:
undetectable		 3ko0C-1ykwA:
12.47
3ko0D-1ykwA:
12.47
3ko0E-1ykwA:
12.47
3ko0F-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.
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
 1.21A 3ko0C-1zzmA:
undetectable
3ko0D-1zzmA:
undetectable
3ko0E-1zzmA:
0.0
3ko0F-1zzmA:
undetectable		 3ko0C-1zzmA:
14.89
3ko0D-1zzmA:
14.89
3ko0E-1zzmA:
14.89
3ko0F-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 3ko0C-2dg2A:
undetectable
3ko0D-2dg2A:
undetectable
3ko0E-2dg2A:
undetectable
3ko0F-2dg2A:
undetectable		 3ko0C-2dg2A:
15.35
3ko0D-2dg2A:
15.35
3ko0E-2dg2A:
15.35
3ko0F-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
 1.33A 3ko0C-2nuxA:
undetectable
3ko0D-2nuxA:
undetectable
3ko0E-2nuxA:
undetectable
3ko0F-2nuxA:
undetectable		 3ko0C-2nuxA:
16.38
3ko0D-2nuxA:
16.38
3ko0E-2nuxA:
16.38
3ko0F-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.
2pvu ARTJ

(Geobacillus
stearothermophilus) 		PF00497
(SBP_bac_3) 		5 LEU A  71
SER A  74
PHE A  72
ILE A 208
ASP A  81
 None
 1.24A 3ko0C-2pvuA:
undetectable
3ko0D-2pvuA:
undetectable
3ko0E-2pvuA:
undetectable
3ko0F-2pvuA:
undetectable		 3ko0C-2pvuA:
16.61
3ko0D-2pvuA:
16.61
3ko0E-2pvuA:
16.61
3ko0F-2pvuA:
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 ASP A  84
PHE A  52
LEU A  49
PHE A  69
ILE A 137
 None
U5P  A 502 ( 4.4A)
None
None
None
 1.46A 3ko0C-2q0fA:
undetectable
3ko0D-2q0fA:
undetectable
3ko0E-2q0fA:
0.0
3ko0F-2q0fA:
undetectable		 3ko0C-2q0fA:
13.66
3ko0D-2q0fA:
13.66
3ko0E-2q0fA:
13.66
3ko0F-2q0fA:
13.66
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 LEU A 154
ILE A 184
PHE A 223
GLU A 180
ASP A 178
 None
 1.41A 3ko0C-2qhpA:
undetectable
3ko0D-2qhpA:
undetectable
3ko0E-2qhpA:
undetectable
3ko0F-2qhpA:
undetectable		 3ko0C-2qhpA:
16.61
3ko0D-2qhpA:
16.61
3ko0E-2qhpA:
16.61
3ko0F-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 SER Z 205
PHE Z 187
LEU Z 216
PHE Z 215
ILE Z 145
 None
 1.36A 3ko0C-2qojZ:
undetectable
3ko0D-2qojZ:
undetectable
3ko0E-2qojZ:
undetectable
3ko0F-2qojZ:
undetectable		 3ko0C-2qojZ:
17.93
3ko0D-2qojZ:
17.93
3ko0E-2qojZ:
17.93
3ko0F-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)
 1.49A 3ko0C-2r2iA:
6.7
3ko0D-2r2iA:
6.7
3ko0E-2r2iA:
6.8
3ko0F-2r2iA:
6.7		 3ko0C-2r2iA:
16.32
3ko0D-2r2iA:
16.32
3ko0E-2r2iA:
16.32
3ko0F-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
 1.14A 3ko0C-2v26A:
0.1
3ko0D-2v26A:
undetectable
3ko0E-2v26A:
1.5
3ko0F-2v26A:
0.1		 3ko0C-2v26A:
9.24
3ko0D-2v26A:
9.24
3ko0E-2v26A:
9.24
3ko0F-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.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ASP A 928
PHE A 869
LEU A 918
ILE A 896
GLU A 843
 None
 1.44A 3ko0C-2zaiA:
undetectable
3ko0D-2zaiA:
undetectable
3ko0E-2zaiA:
undetectable
3ko0F-2zaiA:
undetectable		 3ko0C-2zaiA:
10.47
3ko0D-2zaiA:
10.47
3ko0E-2zaiA:
10.47
3ko0F-2zaiA:
10.47
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.
2zqp PREPROTEIN
TRANSLOCASE SECY
SUBUNIT

(Thermus
thermophilus) 		PF00344
(SecY) 		5 SER Y  71
LEU Y  61
SER Y  63
PHE Y  62
ILE Y 192
 None
 1.35A 3ko0C-2zqpY:
undetectable
3ko0D-2zqpY:
undetectable
3ko0E-2zqpY:
undetectable
3ko0F-2zqpY:
undetectable		 3ko0C-2zqpY:
11.03
3ko0D-2zqpY:
11.03
3ko0E-2zqpY:
11.03
3ko0F-2zqpY:
11.03
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		5 SER A 315
PHE A 360
LEU A  96
SER A  94
ILE A  99
 None
 1.27A 3ko0C-2zwaA:
undetectable
3ko0D-2zwaA:
undetectable
3ko0E-2zwaA:
0.0
3ko0F-2zwaA:
undetectable		 3ko0C-2zwaA:
9.21
3ko0D-2zwaA:
9.21
3ko0E-2zwaA:
9.21
3ko0F-2zwaA:
9.21
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 SER A 227
PHE A 182
LEU A 107
PHE A 149
ILE A 136
 None
 1.29A 3ko0C-3ayrA:
undetectable
3ko0D-3ayrA:
undetectable
3ko0E-3ayrA:
undetectable
3ko0F-3ayrA:
undetectable		 3ko0C-3ayrA:
14.80
3ko0D-3ayrA:
14.80
3ko0E-3ayrA:
14.80
3ko0F-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.
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
 1.17A 3ko0C-3eafA:
undetectable
3ko0D-3eafA:
undetectable
3ko0E-3eafA:
undetectable
3ko0F-3eafA:
undetectable		 3ko0C-3eafA:
12.92
3ko0D-3eafA:
12.92
3ko0E-3eafA:
12.92
3ko0F-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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 PHE A  46
SER A  50
PHE A  28
GLU A 152
ASP A  25
 None
 1.35A 3ko0C-3euaA:
0.0
3ko0D-3euaA:
undetectable
3ko0E-3euaA:
0.0
3ko0F-3euaA:
0.0		 3ko0C-3euaA:
17.58
3ko0D-3euaA:
17.58
3ko0E-3euaA:
17.58
3ko0F-3euaA:
17.58
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 ASP A 172
PHE A 240
LEU A 181
SER A 178
ILE A  68
 None
 1.17A 3ko0C-3hwpA:
undetectable
3ko0D-3hwpA:
undetectable
3ko0E-3hwpA:
undetectable
3ko0F-3hwpA:
undetectable		 3ko0C-3hwpA:
15.77
3ko0D-3hwpA:
15.77
3ko0E-3hwpA:
15.77
3ko0F-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.
3kby PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10804
(DUF2538) 		5 SER A 113
PHE A 110
ILE A 109
GLU A 103
ASP A 106
 None
 1.08A 3ko0C-3kbyA:
undetectable
3ko0D-3kbyA:
undetectable
3ko0E-3kbyA:
undetectable
3ko0F-3kbyA:
undetectable		 3ko0C-3kbyA:
21.13
3ko0D-3kbyA:
21.13
3ko0E-3kbyA:
21.13
3ko0F-3kbyA:
21.13
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.
3lb6 INTERLEUKIN-13

(Homo sapiens) 		PF03487
(IL13) 		5 LEU A  83
SER A  82
ILE A  37
PHE A  70
GLU A  49
 None
 1.40A 3ko0C-3lb6A:
undetectable
3ko0D-3lb6A:
undetectable
3ko0E-3lb6A:
undetectable
3ko0F-3lb6A:
undetectable		 3ko0C-3lb6A:
21.58
3ko0D-3lb6A:
21.58
3ko0E-3lb6A:
21.58
3ko0F-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
 1.22A 3ko0C-3oqvA:
undetectable
3ko0D-3oqvA:
undetectable
3ko0E-3oqvA:
undetectable
3ko0F-3oqvA:
undetectable		 3ko0C-3oqvA:
15.73
3ko0D-3oqvA:
15.73
3ko0E-3oqvA:
15.73
3ko0F-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
 1.37A 3ko0C-3rreA:
undetectable
3ko0D-3rreA:
undetectable
3ko0E-3rreA:
undetectable
3ko0F-3rreA:
undetectable		 3ko0C-3rreA:
11.38
3ko0D-3rreA:
11.38
3ko0E-3rreA:
11.38
3ko0F-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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 LEU A 249
ILE A 182
CYH A 180
GLU A 247
ASP A 246
 None
 1.31A 3ko0C-3tbhA:
undetectable
3ko0D-3tbhA:
undetectable
3ko0E-3tbhA:
undetectable
3ko0F-3tbhA:
undetectable		 3ko0C-3tbhA:
13.77
3ko0D-3tbhA:
13.77
3ko0E-3tbhA:
13.77
3ko0F-3tbhA:
13.77
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 318
LEU A  17
ILE A  19
PHE A 338
GLU A  53
 None
 1.44A 3ko0C-3u9iA:
undetectable
3ko0D-3u9iA:
undetectable
3ko0E-3u9iA:
undetectable
3ko0F-3u9iA:
undetectable		 3ko0C-3u9iA:
13.30
3ko0D-3u9iA:
13.30
3ko0E-3u9iA:
13.30
3ko0F-3u9iA:
13.30
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 260
PHE A 291
SER A 188
ILE A 236
CYH A 172
 None
 1.42A 3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable
3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable		 3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
3ko0E-3upyA:
12.68
3ko0F-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.
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
 1.15A 3ko0C-3wnpA:
undetectable
3ko0D-3wnpA:
undetectable
3ko0E-3wnpA:
undetectable
3ko0F-3wnpA:
undetectable		 3ko0C-3wnpA:
9.04
3ko0D-3wnpA:
9.04
3ko0E-3wnpA:
9.04
3ko0F-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.
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
 1.22A 3ko0C-4anjA:
undetectable
3ko0D-4anjA:
undetectable
3ko0E-4anjA:
undetectable
3ko0F-4anjA:
undetectable		 3ko0C-4anjA:
6.93
3ko0D-4anjA:
6.93
3ko0E-4anjA:
6.93
3ko0F-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
 1.34A 3ko0C-4ay1A:
undetectable
3ko0D-4ay1A:
undetectable
3ko0E-4ay1A:
undetectable
3ko0F-4ay1A:
undetectable		 3ko0C-4ay1A:
13.70
3ko0D-4ay1A:
13.70
3ko0E-4ay1A:
13.70
3ko0F-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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER A  63
PHE A  39
LEU A  72
ILE A  75
ASP A  14
 None
 1.45A 3ko0C-4bc5A:
undetectable
3ko0D-4bc5A:
undetectable
3ko0E-4bc5A:
undetectable
3ko0F-4bc5A:
undetectable		 3ko0C-4bc5A:
11.78
3ko0D-4bc5A:
11.78
3ko0E-4bc5A:
11.78
3ko0F-4bc5A:
11.78
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.
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
 1.17A 3ko0C-4bhdA:
undetectable
3ko0D-4bhdA:
undetectable
3ko0E-4bhdA:
undetectable
3ko0F-4bhdA:
undetectable		 3ko0C-4bhdA:
12.38
3ko0D-4bhdA:
12.38
3ko0E-4bhdA:
12.38
3ko0F-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
 1.35A 3ko0C-4bqnA:
undetectable
3ko0D-4bqnA:
undetectable
3ko0E-4bqnA:
undetectable
3ko0F-4bqnA:
undetectable		 3ko0C-4bqnA:
17.38
3ko0D-4bqnA:
17.38
3ko0E-4bqnA:
17.38
3ko0F-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.
4dth VGRG PROTEIN

(Vibrio cholerae) 		PF16671
(ACD) 		5 LEU A 347
SER A 349
ILE A  13
CYH A  84
ASP A  87
 None
 1.36A 3ko0C-4dthA:
undetectable
3ko0D-4dthA:
undetectable
3ko0E-4dthA:
undetectable
3ko0F-4dthA:
undetectable		 3ko0C-4dthA:
13.44
3ko0D-4dthA:
13.44
3ko0E-4dthA:
13.44
3ko0F-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.
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
 1.21A 3ko0C-4fidA:
undetectable
3ko0D-4fidA:
undetectable
3ko0E-4fidA:
undetectable
3ko0F-4fidA:
undetectable		 3ko0C-4fidA:
15.16
3ko0D-4fidA:
15.16
3ko0E-4fidA:
15.16
3ko0F-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
 1.17A 3ko0C-4fidA:
undetectable
3ko0D-4fidA:
undetectable
3ko0E-4fidA:
undetectable
3ko0F-4fidA:
undetectable		 3ko0C-4fidA:
15.16
3ko0D-4fidA:
15.16
3ko0E-4fidA:
15.16
3ko0F-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.
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
 1.20A 3ko0C-4hwtA:
1.1
3ko0D-4hwtA:
1.1
3ko0E-4hwtA:
1.1
3ko0F-4hwtA:
0.9		 3ko0C-4hwtA:
14.49
3ko0D-4hwtA:
14.49
3ko0E-4hwtA:
14.49
3ko0F-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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ASP D  72
SER D 107
PHE D  57
GLU D 192
ASP D 234
 None
 1.49A 3ko0C-4jrmD:
undetectable
3ko0D-4jrmD:
undetectable
3ko0E-4jrmD:
undetectable
3ko0F-4jrmD:
undetectable		 3ko0C-4jrmD:
11.47
3ko0D-4jrmD:
11.47
3ko0E-4jrmD:
11.47
3ko0F-4jrmD:
11.47
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.
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
 1.37A 3ko0C-4mndA:
undetectable
3ko0D-4mndA:
undetectable
3ko0E-4mndA:
undetectable
3ko0F-4mndA:
undetectable		 3ko0C-4mndA:
12.84
3ko0D-4mndA:
12.84
3ko0E-4mndA:
12.84
3ko0F-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 SER A 182
LEU A 270
SER A 266
ILE A 199
PHE A 155
 None
 1.46A 3ko0C-4n5aA:
undetectable
3ko0D-4n5aA:
undetectable
3ko0E-4n5aA:
1.6
3ko0F-4n5aA:
undetectable		 3ko0C-4n5aA:
11.95
3ko0D-4n5aA:
11.95
3ko0E-4n5aA:
11.95
3ko0F-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.
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 3ko0C-4o8vA:
undetectable
3ko0D-4o8vA:
undetectable
3ko0E-4o8vA:
undetectable
3ko0F-4o8vA:
undetectable		 3ko0C-4o8vA:
16.23
3ko0D-4o8vA:
16.23
3ko0E-4o8vA:
16.23
3ko0F-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.
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
 1.37A 3ko0C-4ojzA:
undetectable
3ko0D-4ojzA:
undetectable
3ko0E-4ojzA:
undetectable
3ko0F-4ojzA:
undetectable		 3ko0C-4ojzA:
8.97
3ko0D-4ojzA:
8.97
3ko0E-4ojzA:
8.97
3ko0F-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.
4ouj HEMAGGLUTININ
COMPONENT HA33

(Clostridium
botulinum) 		PF14200
(RicinB_lectin_2) 		5 SER A 137
PHE A 142
LEU A 131
ILE A  84
ASP A 123
 None
 1.35A 3ko0C-4oujA:
undetectable
3ko0D-4oujA:
undetectable
3ko0E-4oujA:
undetectable
3ko0F-4oujA:
undetectable		 3ko0C-4oujA:
15.31
3ko0D-4oujA:
15.31
3ko0E-4oujA:
15.31
3ko0F-4oujA:
15.31
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.
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)
 1.17A 3ko0C-4pwyA:
undetectable
3ko0D-4pwyA:
undetectable
3ko0E-4pwyA:
undetectable
3ko0F-4pwyA:
undetectable		 3ko0C-4pwyA:
18.85
3ko0D-4pwyA:
18.85
3ko0E-4pwyA:
18.85
3ko0F-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
 1.40A 3ko0C-4rh7A:
undetectable
3ko0D-4rh7A:
undetectable
3ko0E-4rh7A:
undetectable
3ko0F-4rh7A:
undetectable		 3ko0C-4rh7A:
2.91
3ko0D-4rh7A:
2.91
3ko0E-4rh7A:
2.91
3ko0F-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.
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
 1.44A 3ko0C-4upiA:
undetectable
3ko0D-4upiA:
undetectable
3ko0E-4upiA:
undetectable
3ko0F-4upiA:
undetectable		 3ko0C-4upiA:
10.66
3ko0D-4upiA:
10.66
3ko0E-4upiA:
10.66
3ko0F-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
 1.30A 3ko0C-4wzzA:
undetectable
3ko0D-4wzzA:
undetectable
3ko0E-4wzzA:
undetectable
3ko0F-4wzzA:
undetectable		 3ko0C-4wzzA:
13.01
3ko0D-4wzzA:
13.01
3ko0E-4wzzA:
13.01
3ko0F-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)
 1.49A 3ko0C-4ymgA:
undetectable
3ko0D-4ymgA:
undetectable
3ko0E-4ymgA:
undetectable
3ko0F-4ymgA:
undetectable		 3ko0C-4ymgA:
18.38
3ko0D-4ymgA:
18.38
3ko0E-4ymgA:
18.38
3ko0F-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.
4yzg PROTEIN PHOSPHATASE
2C 57

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP A 296
LEU A 333
SER A 337
PHE A  68
ASP A  74
 MN  A 402 (-2.6A)
None
None
None
MN  A 402 ( 4.8A)
 1.39A 3ko0C-4yzgA:
undetectable
3ko0D-4yzgA:
undetectable
3ko0E-4yzgA:
undetectable
3ko0F-4yzgA:
undetectable		 3ko0C-4yzgA:
18.77
3ko0D-4yzgA:
18.77
3ko0E-4yzgA:
18.77
3ko0F-4yzgA:
18.77
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.
5cm2 TRNA
METHYLTRANSFERASE
ACTIVATOR SUBUNIT

(Yarrowia
lipolytica) 		PF03966
(Trm112p) 		5 PHE M  23
LEU M   4
SER M   6
PHE M   8
ILE M  51
 None
 1.30A 3ko0C-5cm2M:
undetectable
3ko0D-5cm2M:
undetectable
3ko0E-5cm2M:
undetectable
3ko0F-5cm2M:
undetectable		 3ko0C-5cm2M:
27.61
3ko0D-5cm2M:
27.61
3ko0E-5cm2M:
27.61
3ko0F-5cm2M:
27.61
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 ASP A 417
LEU A  26
ILE A  61
GLU A  23
ASP A  64
 None
 1.21A 3ko0C-5cykA:
undetectable
3ko0D-5cykA:
undetectable
3ko0E-5cykA:
undetectable
3ko0F-5cykA:
undetectable		 3ko0C-5cykA:
10.91
3ko0D-5cykA:
10.91
3ko0E-5cykA:
10.91
3ko0F-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.
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
 1.19A 3ko0C-5cykA:
undetectable
3ko0D-5cykA:
undetectable
3ko0E-5cykA:
undetectable
3ko0F-5cykA:
undetectable		 3ko0C-5cykA:
10.91
3ko0D-5cykA:
10.91
3ko0E-5cykA:
10.91
3ko0F-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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU C 133
SER C 131
PHE C 132
ILE C 305
PHE C 173
 None
None
None
None
PO4  C 401 (-4.6A)
 1.17A 3ko0C-5dwzC:
undetectable
3ko0D-5dwzC:
undetectable
3ko0E-5dwzC:
undetectable
3ko0F-5dwzC:
undetectable		 3ko0C-5dwzC:
14.11
3ko0D-5dwzC:
14.11
3ko0E-5dwzC:
14.11
3ko0F-5dwzC:
14.11
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.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		5 SER A 164
LEU A  94
SER A  95
PHE A  69
ILE A  74
 None
 1.14A 3ko0C-5hyhA:
undetectable
3ko0D-5hyhA:
undetectable
3ko0E-5hyhA:
undetectable
3ko0F-5hyhA:
undetectable		 3ko0C-5hyhA:
14.19
3ko0D-5hyhA:
14.19
3ko0E-5hyhA:
14.19
3ko0F-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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 ASP A  57
SER A  56
PHE A 611
PHE A 572
ASP A 593
 None
C8E  A 702 ( 4.9A)
None
None
None
 1.44A 3ko0C-5ivaA:
undetectable
3ko0D-5ivaA:
undetectable
3ko0E-5ivaA:
undetectable
3ko0F-5ivaA:
undetectable		 3ko0C-5ivaA:
10.61
3ko0D-5ivaA:
10.61
3ko0E-5ivaA:
10.61
3ko0F-5ivaA:
10.61
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.
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
 1.28A 3ko0C-5k04A:
1.5
3ko0D-5k04A:
undetectable
3ko0E-5k04A:
undetectable
3ko0F-5k04A:
undetectable		 3ko0C-5k04A:
9.64
3ko0D-5k04A:
9.64
3ko0E-5k04A:
9.64
3ko0F-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 ASP A 346
SER A 363
PHE A 420
SER A 368
ILE A 413
 None
 1.17A 3ko0C-5kshA:
undetectable
3ko0D-5kshA:
undetectable
3ko0E-5kshA:
undetectable
3ko0F-5kshA:
undetectable		 3ko0C-5kshA:
10.70
3ko0D-5kshA:
10.70
3ko0E-5kshA:
10.70
3ko0F-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
 1.41A 3ko0C-5lnbB:
undetectable
3ko0D-5lnbB:
undetectable
3ko0E-5lnbB:
undetectable
3ko0F-5lnbB:
undetectable		 3ko0C-5lnbB:
16.50
3ko0D-5lnbB:
16.50
3ko0E-5lnbB:
16.50
3ko0F-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
 1.34A 3ko0C-5mpmA:
undetectable
3ko0D-5mpmA:
1.0
3ko0E-5mpmA:
undetectable
3ko0F-5mpmA:
undetectable		 3ko0C-5mpmA:
24.47
3ko0D-5mpmA:
24.47
3ko0E-5mpmA:
24.47
3ko0F-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
 1.32A 3ko0C-5n6mA:
undetectable
3ko0D-5n6mA:
1.3
3ko0E-5n6mA:
1.7
3ko0F-5n6mA:
undetectable		 3ko0C-5n6mA:
10.32
3ko0D-5n6mA:
10.32
3ko0E-5n6mA:
10.32
3ko0F-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.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Gloeobacter
violaceus;
Mus musculus) 		no annotation 5 SER A 240
PHE A 295
LEU A 401
ILE A 405
PHE A 288
 None
 1.46A 3ko0C-5osbA:
1.4
3ko0D-5osbA:
1.8
3ko0E-5osbA:
1.5
3ko0F-5osbA:
1.7		 3ko0C-5osbA:
15.94
3ko0D-5osbA:
15.94
3ko0E-5osbA:
15.94
3ko0F-5osbA:
15.94
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 ASP A 235
PHE A 232
LEU A 297
SER A 295
ILE A 275
 None
 1.32A 3ko0C-5uinA:
undetectable
3ko0D-5uinA:
undetectable
3ko0E-5uinA:
undetectable
3ko0F-5uinA:
undetectable		 3ko0C-5uinA:
13.03
3ko0D-5uinA:
13.03
3ko0E-5uinA:
13.03
3ko0F-5uinA:
13.03
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.
5uv2 (+)-LIMONENE
SYNTHASE

(Citrus sinensis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASP A 262
LEU A 111
PHE A 120
ILE A  95
ASP A 103
 None
 1.47A 3ko0C-5uv2A:
undetectable
3ko0D-5uv2A:
undetectable
3ko0E-5uv2A:
0.6
3ko0F-5uv2A:
1.3		 3ko0C-5uv2A:
11.99
3ko0D-5uv2A:
11.99
3ko0E-5uv2A:
11.99
3ko0F-5uv2A:
11.99
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.
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
 1.01A 3ko0C-5uxvA:
undetectable
3ko0D-5uxvA:
undetectable
3ko0E-5uxvA:
undetectable
3ko0F-5uxvA:
undetectable		 3ko0C-5uxvA:
17.59
3ko0D-5uxvA:
17.59
3ko0E-5uxvA:
17.59
3ko0F-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.
5wmb DNA REPAIR PROTEIN
REV1

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 640
PHE A 633
LEU A 316
PHE A 315
ILE A 627
 None
None
None
EDO  A 815 ( 4.8A)
None
 1.24A 3ko0C-5wmbA:
undetectable
3ko0D-5wmbA:
undetectable
3ko0E-5wmbA:
undetectable
3ko0F-5wmbA:
undetectable		 3ko0C-5wmbA:
13.36
3ko0D-5wmbA:
13.36
3ko0E-5wmbA:
13.36
3ko0F-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.
5y5a KLLA0F20702P

(Kluyveromyces
lactis) 		no annotation 5 ASP A 226
PHE A 239
LEU A 521
PHE A 524
ILE A 367
 None
 1.38A 3ko0C-5y5aA:
undetectable
3ko0D-5y5aA:
1.2
3ko0E-5y5aA:
undetectable
3ko0F-5y5aA:
undetectable		 3ko0C-5y5aA:
19.80
3ko0D-5y5aA:
19.80
3ko0E-5y5aA:
19.80
3ko0F-5y5aA:
19.80
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 SER B 241
PHE B 296
LEU B 331
ILE B 335
PHE B 289
 None
 1.34A 3ko0C-6d6uB:
1.8
3ko0D-6d6uB:
1.9
3ko0E-6d6uB:
1.1
3ko0F-6d6uB:
1.8		 3ko0C-6d6uB:
20.39
3ko0D-6d6uB:
20.39
3ko0E-6d6uB:
20.39
3ko0F-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.
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
 1.04A 3ko0C-6evjB:
undetectable
3ko0D-6evjB:
undetectable
3ko0E-6evjB:
undetectable
3ko0F-6evjB:
undetectable		 3ko0C-6evjB:
17.92
3ko0D-6evjB:
17.92
3ko0E-6evjB:
17.92
3ko0F-6evjB:
17.92