SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_D_TFPD202_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.
1ag9 FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 ASP A 145
LEU A 142
PHE A  86
ILE A  18
SER A 130
 None
 1.22A 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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLU A 191
ASP A 233
SER A 106
PHE A  56
ASP A  71
 CER  A 413 (-3.7A)
None
None
None
None
 1.43A 3ko0C-1b3nA:
undetectable
3ko0D-1b3nA:
undetectable
3ko0E-1b3nA:
undetectable
3ko0F-1b3nA:
undetectable		 3ko0C-1b3nA:
12.50
3ko0D-1b3nA:
12.50
3ko0E-1b3nA:
12.50
3ko0F-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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLU A 191
LEU A 342
SER A 106
PHE A  56
ASP A  71
 CER  A 413 (-3.7A)
CER  A 413 (-4.2A)
None
None
None
 1.50A 3ko0C-1b3nA:
undetectable
3ko0D-1b3nA:
undetectable
3ko0E-1b3nA:
undetectable
3ko0F-1b3nA:
undetectable		 3ko0C-1b3nA:
12.50
3ko0D-1b3nA:
12.50
3ko0E-1b3nA:
12.50
3ko0F-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.
1czk FLAVODOXIN

(Synechococcus
elongatus) 		PF00258
(Flavodoxin_1) 		5 ASP A 144
LEU A 141
PHE A  86
ILE A  17
SER A 130
 None
 1.19A 3ko0C-1czkA:
undetectable
3ko0D-1czkA:
undetectable
3ko0E-1czkA:
undetectable
3ko0F-1czkA:
undetectable		 3ko0C-1czkA:
21.02
3ko0D-1czkA:
21.02
3ko0E-1czkA:
21.02
3ko0F-1czkA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN

(Physarum
polycephalum) 		PF13202
(EF-hand_5) 		5 GLU A 343
LEU A 339
SER A 340
PHE A 344
ASP A 252
 None
 1.06A 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 ASP A 319
LEU A 314
ILE A  83
PHE A 323
SER A 184
 None
 1.26A 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 439
LEU A 436
SER A 486
ILE A 423
ASP A 482
 None
 1.14A 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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 ASP 1  49
LEU 3 165
SER 3 116
PHE 3 115
CYH 3 216
 None
 1.36A 3ko0C-1r1a1:
undetectable
3ko0D-1r1a1:
undetectable
3ko0E-1r1a1:
undetectable
3ko0F-1r1a1:
undetectable		 3ko0C-1r1a1:
15.95
3ko0D-1r1a1:
15.95
3ko0E-1r1a1:
15.95
3ko0F-1r1a1:
15.95
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLU A 580
LEU A 576
SER A 577
PHE A 566
PHE A 468
 None
 1.30A 3ko0C-1sb3A:
undetectable
3ko0D-1sb3A:
undetectable
3ko0E-1sb3A:
undetectable
3ko0F-1sb3A:
undetectable		 3ko0C-1sb3A:
7.84
3ko0D-1sb3A:
7.84
3ko0E-1sb3A:
7.84
3ko0F-1sb3A:
7.84
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 GLU A 117
ASP A 116
SER A 161
ILE A 119
PHE A 198
 None
 1.43A 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 GLU A  37
ASP A  40
LEU A  32
ILE A  15
SER A   6
 None
 1.39A 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.
1vaz NSFL1 COFACTOR P47

(Rattus
norvegicus) 		PF08059
(SEP) 		5 ASP A  64
LEU A  16
SER A  22
PHE A  21
ILE A  43
 None
 1.49A 3ko0C-1vazA:
undetectable
3ko0D-1vazA:
undetectable
3ko0E-1vazA:
undetectable
3ko0F-1vazA:
undetectable		 3ko0C-1vazA:
23.15
3ko0D-1vazA:
23.15
3ko0E-1vazA:
23.15
3ko0F-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 ASP A 121
LEU A 129
ILE A  82
PHE A 140
SER A 135
 None
 1.31A 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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLU A 181
LEU A 177
SER A 178
PHE A 182
ILE A 185
 None
 1.21A 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 ASP A  13
LEU A  25
SER A  24
ILE A  36
CYH A  10
 None
 1.18A 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.
2bw3 TRANSPOSASE

(Musca domestica) 		PF05699
(Dimer_Tnp_hAT)
PF10683
(DBD_Tnp_Hermes) 		5 LEU A 600
SER A 602
PHE A 603
PHE A 232
SER A 571
 None
 1.32A 3ko0C-2bw3A:
undetectable
3ko0D-2bw3A:
undetectable
3ko0E-2bw3A:
0.4
3ko0F-2bw3A:
undetectable		 3ko0C-2bw3A:
11.28
3ko0D-2bw3A:
11.28
3ko0E-2bw3A:
11.28
3ko0F-2bw3A:
11.28
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.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		5 LEU A 207
SER A 186
ILE A  65
CYH A  97
SER A 191
 None
 1.34A 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 LEU A 186
SER A 185
ILE A   3
PHE A  38
SER A 162
 None
 1.35A 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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 GLU A 180
ASP A 148
LEU A 176
SER A 177
ILE A 184
 None
None
None
CL  A 601 ( 4.1A)
None
 1.41A 3ko0C-2o0rA:
undetectable
3ko0D-2o0rA:
undetectable
3ko0E-2o0rA:
0.0
3ko0F-2o0rA:
undetectable		 3ko0C-2o0rA:
13.37
3ko0D-2o0rA:
13.37
3ko0E-2o0rA:
13.37
3ko0F-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 GLU A 180
ASP A 178
LEU A 154
ILE A 184
PHE A 223
 None
 1.44A 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 LEU Z 216
PHE Z 215
ILE Z 145
PHE Z 187
SER Z 205
 None
 1.37A 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.
2qsd UNCHARACTERIZED
CONSERVED PROTEIN

(Idiomarina
loihiensis) 		PF07566
(DUF1543) 		5 ASP A  26
LEU A  55
SER A  57
PHE A  58
ASP A 103
 None
 1.47A 3ko0C-2qsdA:
undetectable
3ko0D-2qsdA:
undetectable
3ko0E-2qsdA:
undetectable
3ko0F-2qsdA:
undetectable		 3ko0C-2qsdA:
22.10
3ko0D-2qsdA:
22.10
3ko0E-2qsdA:
22.10
3ko0F-2qsdA:
22.10
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.
2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1

(Gallus gallus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		5 GLU A 153
LEU A 149
SER A 150
PHE A 154
ILE A 141
 CA  A 502 (-2.3A)
None
None
None
None
 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 ASP A 748
LEU A 738
ILE A 769
PHE A 705
PHE A 751
 None
 1.16A 3ko0C-2v26A:
0.1
3ko0D-2v26A:
0.1
3ko0E-2v26A:
0.1
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.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		5 ASP A 402
LEU A 363
ILE A 398
PHE A 107
ASP A 141
 None
 1.18A 3ko0C-2wn4A:
undetectable
3ko0D-2wn4A:
undetectable
3ko0E-2wn4A:
undetectable
3ko0F-2wn4A:
undetectable		 3ko0C-2wn4A:
13.10
3ko0D-2wn4A:
13.10
3ko0E-2wn4A:
13.10
3ko0F-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.
2z01 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Geobacillus
kaustophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 303
ILE A  93
PHE A 102
ASP A  83
SER A 188
 None
 1.34A 3ko0C-2z01A:
undetectable
3ko0D-2z01A:
undetectable
3ko0E-2z01A:
0.0
3ko0F-2z01A:
undetectable		 3ko0C-2z01A:
13.17
3ko0D-2z01A:
13.17
3ko0E-2z01A:
13.17
3ko0F-2z01A:
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.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 GLU A 843
LEU A 918
ILE A 896
PHE A 869
ASP A 928
 None
 1.48A 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 LEU Y  61
SER Y  63
PHE Y  62
ILE Y 192
SER Y  71
 None
 1.46A 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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLU A  70
LEU A  24
ILE A  20
ASP A  76
SER A 229
 None
 1.48A 3ko0C-2zxhA:
undetectable
3ko0D-2zxhA:
undetectable
3ko0E-2zxhA:
0.0
3ko0F-2zxhA:
undetectable		 3ko0C-2zxhA:
9.74
3ko0D-2zxhA:
9.74
3ko0E-2zxhA:
9.74
3ko0F-2zxhA:
9.74
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 LEU A 873
SER A 875
PHE A 877
ILE A 915
ASP A 774
 None
 1.38A 3ko0C-3a6pA:
undetectable
3ko0D-3a6pA:
undetectable
3ko0E-3a6pA:
0.0
3ko0F-3a6pA:
undetectable		 3ko0C-3a6pA:
6.52
3ko0D-3a6pA:
6.52
3ko0E-3a6pA:
6.52
3ko0F-3a6pA:
6.52
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 LEU A 107
PHE A 149
ILE A 136
PHE A 182
SER A 227
 None
 1.31A 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.
3buz IOTA TOXIN COMPONENT
IA

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		5 ASP A 395
LEU A 356
ILE A 391
PHE A 100
ASP A 134
 None
 1.21A 3ko0C-3buzA:
undetectable
3ko0D-3buzA:
undetectable
3ko0E-3buzA:
undetectable
3ko0F-3buzA:
undetectable		 3ko0C-3buzA:
12.71
3ko0D-3buzA:
12.71
3ko0E-3buzA:
12.71
3ko0F-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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 PHE X 100
ILE X  88
PHE X 259
ASP X  18
SER X  11
 None
 1.32A 3ko0C-3e13X:
undetectable
3ko0D-3e13X:
undetectable
3ko0E-3e13X:
undetectable
3ko0F-3e13X:
undetectable		 3ko0C-3e13X:
16.67
3ko0D-3e13X:
16.67
3ko0E-3e13X:
16.67
3ko0F-3e13X:
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 SER X 239
ILE X 278
PHE X 259
ASP X  18
SER X  11
 None
 1.19A 3ko0C-3e13X:
undetectable
3ko0D-3e13X:
undetectable
3ko0E-3e13X:
undetectable
3ko0F-3e13X:
undetectable		 3ko0C-3e13X:
16.67
3ko0D-3e13X:
16.67
3ko0E-3e13X:
16.67
3ko0F-3e13X:
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.21A 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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 LEU A 181
SER A 178
ILE A  68
PHE A 240
ASP A 172
 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.
3l15 TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-4

(Homo sapiens) 		no annotation 5 LEU A 230
SER A 331
ILE A 254
PHE A 251
SER A 377
 None
 1.17A 3ko0C-3l15A:
undetectable
3ko0D-3l15A:
undetectable
3ko0E-3l15A:
undetectable
3ko0F-3l15A:
undetectable		 3ko0C-3l15A:
20.36
3ko0D-3l15A:
20.36
3ko0E-3l15A:
20.36
3ko0F-3l15A:
20.36
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.
3lb6 INTERLEUKIN-13

(Homo sapiens) 		PF03487
(IL13) 		5 GLU A  49
LEU A  83
SER A  82
ILE A  37
PHE A  70
 None
 1.43A 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 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.28A 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 ASP A 344
LEU A 332
PHE A 331
ILE A 314
PHE A 293
 None
 1.32A 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 GLU A 247
ASP A 246
LEU A 249
ILE A 182
CYH A 180
 None
 1.32A 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.
3tsm INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Brucella
abortus) 		PF00218
(IGPS) 		5 GLU A 158
ASP A 167
LEU A 184
SER A 185
ILE A 170
 None
 1.48A 3ko0C-3tsmA:
undetectable
3ko0D-3tsmA:
undetectable
3ko0E-3tsmA:
undetectable
3ko0F-3tsmA:
undetectable		 3ko0C-3tsmA:
17.54
3ko0D-3tsmA:
17.54
3ko0E-3tsmA:
17.54
3ko0F-3tsmA:
17.54
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A  53
LEU A  17
ILE A  19
PHE A 338
SER A 318
 None
 1.48A 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 LEU A 242
SER A 188
ILE A 236
PHE A 291
SER A 260
 None
 1.47A 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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.41A 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 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.09A 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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 107
ILE A  14
PHE A 167
ASP A 163
SER A 162
 None
 1.36A 3ko0C-3wryA:
undetectable
3ko0D-3wryA:
undetectable
3ko0E-3wryA:
undetectable
3ko0F-3wryA:
undetectable		 3ko0C-3wryA:
12.53
3ko0D-3wryA:
12.53
3ko0E-3wryA:
12.53
3ko0F-3wryA:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 ASP A 748
LEU A 738
ILE A 769
PHE A 705
PHE A 751
 None
 1.24A 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 LEU A  99
SER A  62
ILE A  73
ASP A 363
SER A 361
 None
 1.40A 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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ASP A 318
LEU A 332
PHE A 327
ILE A 325
ASP A 351
 None
 1.23A 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 179
LEU A  19
ILE A 210
ASP A 173
SER A  79
 None
 1.44A 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 ASP A  87
LEU A 347
SER A 349
ILE A  13
CYH A  84
 None
 1.31A 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 GLU A 214
LEU A 228
SER A 231
ILE A 288
PHE A 252
 None
 1.24A 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 GLU A 214
LEU A 228
SER A 231
PHE A 252
PHE A 208
 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 LEU A 596
ILE A 509
CYH A 512
PHE A 515
ASP A 495
 None
None
None
None
1B2  A 802 (-3.6A)
 1.24A 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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLU A 192
LEU A 343
SER A 107
PHE A  57
ASP A  72
 None
 1.50A 3ko0C-4jb6A:
undetectable
3ko0D-4jb6A:
undetectable
3ko0E-4jb6A:
undetectable
3ko0F-4jb6A:
undetectable		 3ko0C-4jb6A:
13.78
3ko0D-4jb6A:
13.78
3ko0E-4jb6A:
13.78
3ko0F-4jb6A:
13.78
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.
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
 1.14A 3ko0C-4jhiA:
undetectable
3ko0D-4jhiA:
undetectable
3ko0E-4jhiA:
undetectable
3ko0F-4jhiA:
undetectable		 3ko0C-4jhiA:
18.29
3ko0D-4jhiA:
18.29
3ko0E-4jhiA:
18.29
3ko0F-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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 ASP A 270
LEU A  44
SER A  46
ILE A   8
ASP A 291
 None
 1.35A 3ko0C-4k37A:
undetectable
3ko0D-4k37A:
undetectable
3ko0E-4k37A:
undetectable
3ko0F-4k37A:
undetectable		 3ko0C-4k37A:
15.14
3ko0D-4k37A:
15.14
3ko0E-4k37A:
15.14
3ko0F-4k37A:
15.14
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLU A 336
ASP A 419
LEU A 355
PHE A 451
SER A 383
 None
 1.39A 3ko0C-4ktpA:
undetectable
3ko0D-4ktpA:
undetectable
3ko0E-4ktpA:
undetectable
3ko0F-4ktpA:
undetectable		 3ko0C-4ktpA:
7.74
3ko0D-4ktpA:
7.74
3ko0E-4ktpA:
7.74
3ko0F-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.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 LEU A 188
ILE A 129
PHE A 108
PHE A 151
SER A 225
 None
 1.50A 3ko0C-4mlgA:
undetectable
3ko0D-4mlgA:
undetectable
3ko0E-4mlgA:
undetectable
3ko0F-4mlgA:
undetectable		 3ko0C-4mlgA:
15.26
3ko0D-4mlgA:
15.26
3ko0E-4mlgA:
15.26
3ko0F-4mlgA:
15.26
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.
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 GLU A 362
SER A 308
ILE A 363
ASP A 296
SER A 300
 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.
4nt9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 LEU B  82
SER B 151
ILE B  74
PHE B 187
ASP B 160
 None
ACT  B 302 (-2.6A)
None
None
ZN  B 301 (-2.5A)
 1.49A 3ko0C-4nt9B:
undetectable
3ko0D-4nt9B:
undetectable
3ko0E-4nt9B:
undetectable
3ko0F-4nt9B:
undetectable		 3ko0C-4nt9B:
16.82
3ko0D-4nt9B:
16.82
3ko0E-4nt9B:
16.82
3ko0F-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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 LEU A 227
SER A 226
PHE A 238
ILE A 273
SER A 189
 None
 1.36A 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 ASP A 123
LEU A 131
ILE A  84
PHE A 142
SER A 137
 None
 1.37A 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 GLU A 132
LEU A  70
SER A  67
ILE A 292
PHE A  65
 UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 408 ( 4.8A)
 1.20A 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 GLU A2530
LEU A2506
ILE A2526
PHE A2572
ASP A2537
 None
 1.37A 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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 SER A 368
ILE A 413
PHE A 420
ASP A 346
SER A 363
 None
 1.20A 3ko0C-4u3tA:
undetectable
3ko0D-4u3tA:
undetectable
3ko0E-4u3tA:
undetectable
3ko0F-4u3tA:
undetectable		 3ko0C-4u3tA:
15.76
3ko0D-4u3tA:
15.76
3ko0E-4u3tA:
15.76
3ko0F-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 GLU A 261
ASP A 473
LEU A 262
SER A 258
ASP A 467
 None
 1.42A 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 GLU A 356
ASP A 281
PHE A 355
ILE A 360
ASP A 169
 None
None
EDO  A 403 ( 4.8A)
None
None
 1.33A 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.
4yzg PROTEIN PHOSPHATASE
2C 57

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP A  74
LEU A 333
SER A 337
PHE A  68
ASP A 296
 MN  A 402 ( 4.8A)
None
None
None
MN  A 402 (-2.6A)
 1.45A 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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 GLU A 724
LEU A 735
ILE A  21
PHE A 115
ASP A 593
 None
 1.26A 3ko0C-5ah5A:
undetectable
3ko0D-5ah5A:
undetectable
3ko0E-5ah5A:
undetectable
3ko0F-5ah5A:
undetectable		 3ko0C-5ah5A:
7.86
3ko0D-5ah5A:
7.86
3ko0E-5ah5A:
7.86
3ko0F-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 GLU A  23
ASP A  64
LEU A  26
ILE A  61
ASP A 417
 None
 1.22A 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 GLU A  23
LEU A  26
ILE A  61
ASP A 417
SER A 403
 None
 1.20A 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.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		5 LEU A  94
SER A  95
PHE A  69
ILE A  74
SER A 164
 None
 1.11A 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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 ASP B 376
LEU B 361
SER B 386
CYH B 381
ASP B 397
 None
 1.24A 3ko0C-5hzgB:
undetectable
3ko0D-5hzgB:
undetectable
3ko0E-5hzgB:
undetectable
3ko0F-5hzgB:
undetectable		 3ko0C-5hzgB:
8.73
3ko0D-5hzgB:
8.73
3ko0E-5hzgB:
8.73
3ko0F-5hzgB:
8.73
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		5 GLU A  94
SER A  90
ILE A  97
CYH A 108
PHE A 112
 None
 1.29A 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 SER A 368
ILE A 413
PHE A 420
ASP A 346
SER A 363
 None
 1.22A 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 LEU B  91
PHE B 185
ILE B 182
CYH B 130
ASP B  59
 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 GLU A 309
LEU A  65
ILE A  94
ASP A 799
SER A 766
 None
CZA  A1002 (-4.1A)
None
None
None
 1.38A 3ko0C-5mpmA:
undetectable
3ko0D-5mpmA:
0.9
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 GLU A 135
LEU A 132
SER A 172
PHE A 173
SER A 153
 None
 1.31A 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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 LEU A 408
SER A 406
ILE A 389
PHE A 433
PHE A 444
 None
 1.28A 3ko0C-5u1sA:
undetectable
3ko0D-5u1sA:
undetectable
3ko0E-5u1sA:
undetectable
3ko0F-5u1sA:
undetectable		 3ko0C-5u1sA:
5.14
3ko0D-5u1sA:
5.14
3ko0E-5u1sA:
5.14
3ko0F-5u1sA:
5.14
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 LEU A 297
SER A 295
ILE A 275
PHE A 232
ASP A 235
 None
 1.28A 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.
5wxl RIBOSOME BIOGENESIS
PROTEIN RPF2

(Saccharomyces
cerevisiae) 		PF04427
(Brix) 		5 LEU A  31
PHE A  78
ILE A  33
PHE A  69
ASP A 112
 None
 1.36A 3ko0C-5wxlA:
undetectable
3ko0D-5wxlA:
undetectable
3ko0E-5wxlA:
undetectable
3ko0F-5wxlA:
undetectable		 3ko0C-5wxlA:
18.85
3ko0D-5wxlA:
18.85
3ko0E-5wxlA:
18.85
3ko0F-5wxlA:
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.
5y5a KLLA0F20702P

(Kluyveromyces
lactis) 		no annotation 5 LEU A 521
PHE A 524
ILE A 367
PHE A 239
ASP A 226
 None
 1.36A 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.
6cet GATOR COMPLEX
PROTEIN DEPDC5
GATOR COMPLEX
PROTEIN NPRL2

(Homo sapiens) 		no annotation 5 GLU D 344
ASP D 395
SER D 301
PHE D 343
SER N 187
 None
 1.41A 3ko0C-6cetD:
undetectable
3ko0D-6cetD:
undetectable
3ko0E-6cetD:
undetectable
3ko0F-6cetD:
undetectable		 3ko0C-6cetD:
19.61
3ko0D-6cetD:
19.61
3ko0E-6cetD:
19.61
3ko0F-6cetD:
19.61
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 LEU B 331
ILE B 335
PHE B 289
PHE B 296
SER B 241
 None
 1.32A 3ko0C-6d6uB:
1.7
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo sapiens) 		no annotation 5 LEU E 167
PHE E 113
ILE E 147
ASP A  48
SER A  46
 None
 1.20A 3ko0C-6d6uE:
undetectable
3ko0D-6d6uE:
undetectable
3ko0E-6d6uE:
undetectable
3ko0F-6d6uE:
undetectable		 3ko0C-6d6uE:
21.15
3ko0D-6d6uE:
21.15
3ko0E-6d6uE:
21.15
3ko0F-6d6uE:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dw1

() 		no annotation 5 LEU D 167
PHE D 113
ILE D 147
ASP E  48
SER E  46
 None
 1.30A 3ko0C-6dw1D:
undetectable
3ko0D-6dw1D:
undetectable
3ko0E-6dw1D:
undetectable
3ko0F-6dw1D:
undetectable		 3ko0C-6dw1D:
undetectable
3ko0D-6dw1D:
undetectable
3ko0E-6dw1D:
undetectable
3ko0F-6dw1D:
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 LEU B 102
PHE B 103
ILE B 262
PHE B 254
ASP B 112
 None
 1.06A 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