SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_A_PCFA1803

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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TYR A 170
ILE A 171
ILE A 238
ILE A 161
ASN A 163
 None
None
None
FAD  A 385 ( 4.2A)
None
 1.39A 5vkqA-1bucA:
2.8
5vkqD-1bucA:
3.5		 5vkqA-1bucA:
12.31
5vkqD-1bucA:
12.31
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.
1dxx DYSTROPHIN

(Homo sapiens) 		PF00307
(CH) 		5 ILE A 111
ILE A 115
LEU A 116
ILE A  99
ASN A 103
 None
 1.40A 5vkqA-1dxxA:
0.0
5vkqD-1dxxA:
0.0		 5vkqA-1dxxA:
9.27
5vkqD-1dxxA:
9.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f6b SAR1

(Cricetulus
griseus) 		PF00025
(Arf) 		5 ILE A 129
ILE A 131
LEU A 132
ILE A  93
ASN A  94
 None
 1.33A 5vkqA-1f6bA:
undetectable
5vkqD-1f6bA:
undetectable		 5vkqA-1f6bA:
7.87
5vkqD-1f6bA:
7.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fiu TYPE II RESTRICTION
ENZYME NGOMI

(Neisseria
gonorrhoeae) 		PF09015
(NgoMIV_restric) 		5 ILE A 153
ILE A 148
LEU A 147
ILE A 164
ASN A 163
 None
 1.09A 5vkqA-1fiuA:
0.0
5vkqD-1fiuA:
0.0		 5vkqA-1fiuA:
10.70
5vkqD-1fiuA:
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 TYR A 378
ILE A  12
ILE A  41
LEU A 142
ILE A 128
 None
 1.43A 5vkqA-1fohA:
0.0
5vkqD-1fohA:
0.0		 5vkqA-1fohA:
18.01
5vkqD-1fohA:
18.01
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.
1i7h FERREDOXIN

(Escherichia
coli) 		PF00111
(Fer2) 		5 TYR A 103
ILE A  54
HIS A 107
ILE A 105
ASN A 106
 None
 1.24A 5vkqA-1i7hA:
undetectable
5vkqD-1i7hA:
undetectable		 5vkqA-1i7hA:
5.51
5vkqD-1i7hA:
5.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obf GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Achromobacter
xylosoxidans) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR O   9
ILE O 120
ILE O 149
HIS O  20
ILE O  29
 None
 1.39A 5vkqA-1obfO:
0.0
5vkqD-1obfO:
0.0		 5vkqA-1obfO:
12.42
5vkqD-1obfO:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ILE A 347
ILE A 345
LEU A 396
ILE A 373
ASN A 374
 None
 1.35A 5vkqA-1pd1A:
0.0
5vkqD-1pd1A:
0.0		 5vkqA-1pd1A:
19.06
5vkqD-1pd1A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ILE A 682
ILE A 683
LEU A 473
HIS A 490
ILE A 519
 None
None
GOL  A 700 ( 4.4A)
None
None
 1.32A 5vkqA-1q3xA:
0.0
5vkqD-1q3xA:
0.0		 5vkqA-1q3xA:
11.20
5vkqD-1q3xA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rt8 FIMBRIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 ILE A 119
ILE A 122
LEU A 158
ILE A 110
ASN A 111
 None
 1.22A 5vkqA-1rt8A:
0.0
5vkqD-1rt8A:
0.0		 5vkqA-1rt8A:
15.13
5vkqD-1rt8A:
15.13
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT

(Homo sapiens) 		PF13472
(Lipase_GDSL_2) 		5 ILE A 135
ILE A 213
LEU A 217
ILE A 125
ASN A 126
 None
 1.13A 5vkqA-1vyhA:
undetectable
5vkqD-1vyhA:
undetectable		 5vkqA-1vyhA:
8.60
5vkqD-1vyhA:
8.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		5 TYR A 325
ILE A 304
ILE A 308
LEU A 309
ILE A 299
 None
 1.44A 5vkqA-1xr5A:
undetectable
5vkqD-1xr5A:
undetectable		 5vkqA-1xr5A:
12.78
5vkqD-1xr5A:
12.78
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		5 TYR A  58
ILE A  11
ILE A  22
LEU A  73
ILE A 307
 None
 1.37A 5vkqA-2bibA:
undetectable
5vkqD-2bibA:
undetectable		 5vkqA-2bibA:
14.17
5vkqD-2bibA:
14.17
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.
2do8 UPF0301 PROTEIN
HD_1794

([Haemophilus]
ducreyi) 		PF02622
(DUF179) 		5 TYR A 163
ILE A  26
ILE A  40
ILE A 104
ASN A 155
 None
 1.44A 5vkqA-2do8A:
undetectable
5vkqD-2do8A:
undetectable		 5vkqA-2do8A:
7.69
5vkqD-2do8A:
7.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		5 ILE A 127
ILE A 131
LEU A 132
ILE A 115
ASN A 119
 None
 1.29A 5vkqA-2eynA:
undetectable
5vkqD-2eynA:
undetectable		 5vkqA-2eynA:
8.78
5vkqD-2eynA:
8.78
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ILE A 293
ILE A 312
LEU A 316
ILE A 332
ASN A 329
 None
 1.31A 5vkqA-2fjaA:
undetectable
5vkqD-2fjaA:
undetectable		 5vkqA-2fjaA:
16.92
5vkqD-2fjaA:
16.92
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 255
LYS A 359
ILE A 358
ILE A 390
LEU A 388
 None
 1.30A 5vkqA-2gqdA:
undetectable
5vkqD-2gqdA:
undetectable		 5vkqA-2gqdA:
14.49
5vkqD-2gqdA:
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.
2h2w HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Thermotoga
maritima) 		PF04204
(HTS) 		5 ILE A  48
ILE A  52
LEU A  55
HIS A  75
ILE A  85
 None
 1.40A 5vkqA-2h2wA:
undetectable
5vkqD-2h2wA:
undetectable		 5vkqA-2h2wA:
11.00
5vkqD-2h2wA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 ILE A  54
ILE A  63
LEU A  62
HIS A 157
ILE A  49
 None
 1.45A 5vkqA-2isqA:
undetectable
5vkqD-2isqA:
undetectable		 5vkqA-2isqA:
11.83
5vkqD-2isqA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iye COPPER-TRANSPORTING
ATPASE

(Sulfolobus
solfataricus) 		PF00702
(Hydrolase) 		5 TYR A 504
ILE A 490
ILE A 485
LEU A 468
ILE A 510
 None
 1.43A 5vkqA-2iyeA:
undetectable
5vkqD-2iyeA:
undetectable		 5vkqA-2iyeA:
9.93
5vkqD-2iyeA:
9.93
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.
2mzb ADENOSYLCOBINAMIDE-P
HOSPHATE
GUANYLYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF12804
(NTP_transf_3) 		5 ILE A   5
ILE A  30
LEU A  29
ILE A 154
ASN A 155
 None
 1.21A 5vkqA-2mzbA:
undetectable
5vkqD-2mzbA:
undetectable		 5vkqA-2mzbA:
8.24
5vkqD-2mzbA:
8.24
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.
2qlc DNA REPAIR PROTEIN
RADC HOMOLOG

(Chlorobaculum
tepidum) 		PF04002
(RadC) 		5 ILE A  71
LEU A  32
HIS A  77
ILE A 111
ASN A  76
 None
 1.30A 5vkqA-2qlcA:
undetectable
5vkqD-2qlcA:
undetectable		 5vkqA-2qlcA:
5.99
5vkqD-2qlcA:
5.99
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.
2rhm PUTATIVE KINASE

(Chloroflexus
aurantiacus) 		PF13671
(AAA_33) 		5 ILE A   8
ILE A   7
LEU A  24
ILE A 152
ASN A  84
 None
 0.95A 5vkqA-2rhmA:
undetectable
5vkqD-2rhmA:
undetectable		 5vkqA-2rhmA:
8.11
5vkqD-2rhmA:
8.11
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.
2vj5 PROTEIN MXIC

(Shigella
flexneri) 		PF07201
(HrpJ) 		5 ILE A 149
ILE A 145
LEU A 142
ILE A 161
ASN A 158
 None
 1.39A 5vkqA-2vj5A:
3.8
5vkqD-2vj5A:
4.1		 5vkqA-2vj5A:
10.41
5vkqD-2vj5A:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LYS A 158
ILE A 159
ILE A 123
LEU A 124
ILE A  71
 None
 1.28A 5vkqA-2w4kA:
undetectable
5vkqD-2w4kA:
undetectable		 5vkqA-2w4kA:
11.63
5vkqD-2w4kA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF13519
(VWA_2) 		5 ILE A 193
ILE A 206
LEU A 208
ILE A 160
ASN A 178
 None
None
None
None
EPE  A1101 ( 4.8A)
 1.16A 5vkqA-2ww8A:
undetectable
5vkqD-2ww8A:
undetectable		 5vkqA-2ww8A:
18.93
5vkqD-2ww8A:
18.93
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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 TYR A 107
ILE A  78
ILE A  38
ILE A  95
ASN A  98
 None
 1.29A 5vkqA-2wzfA:
undetectable
5vkqD-2wzfA:
undetectable		 5vkqA-2wzfA:
14.59
5vkqD-2wzfA:
14.59
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.
2xri ERI1 EXORIBONUCLEASE
3

(Homo sapiens) 		PF00929
(RNase_T) 		5 ILE A 316
ILE A 319
LEU A 300
HIS A 185
ILE A 310
 None
 1.32A 5vkqA-2xriA:
undetectable
5vkqD-2xriA:
undetectable		 5vkqA-2xriA:
7.88
5vkqD-2xriA:
7.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yk0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding)
PF15447
(NTS) 		5 TYR A 229
LYS A 226
ILE A 228
LEU A 146
HIS A 242
 None
 1.25A 5vkqA-2yk0A:
3.3
5vkqD-2yk0A:
3.2		 5vkqA-2yk0A:
17.56
5vkqD-2yk0A:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bbh RIBOSOME BIOGENESIS
PROTEIN NEP1-LIKE

(Methanocaldococcus
jannaschii) 		PF03587
(EMG1) 		5 ILE A 138
ILE A 140
LEU A 169
ILE A 133
ASN A  77
 None
None
None
GOL  A 209 ( 4.7A)
GOL  A 209 (-4.6A)
 1.31A 5vkqA-3bbhA:
undetectable
5vkqD-3bbhA:
undetectable		 5vkqA-3bbhA:
7.94
5vkqD-3bbhA:
7.94
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.
3cuc PROTEIN OF UNKNOWN
FUNCTION WITH A FIC
DOMAIN

(Bacteroides
thetaiotaomicron) 		PF02661
(Fic) 		5 ILE A 220
ILE A 218
LEU A 210
HIS A 192
ILE A 189
 None
 1.18A 5vkqA-3cucA:
undetectable
5vkqD-3cucA:
undetectable		 5vkqA-3cucA:
11.06
5vkqD-3cucA:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxp PUTATIVE ACYL-COA
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF01636
(APH) 		5 TYR A 306
ILE A 281
LEU A 132
HIS A 155
ILE A 151
 None
 1.43A 5vkqA-3dxpA:
undetectable
5vkqD-3dxpA:
undetectable		 5vkqA-3dxpA:
11.73
5vkqD-3dxpA:
11.73
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.
3f7p PLECTIN-1

(Homo sapiens) 		PF00307
(CH) 		5 ILE A 164
ILE A 168
LEU A 169
ILE A 152
ASN A 156
 None
 1.36A 5vkqA-3f7pA:
undetectable
5vkqD-3f7pA:
undetectable		 5vkqA-3f7pA:
10.99
5vkqD-3f7pA:
10.99
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.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		5 TYR A 506
ILE A 518
ILE A 522
LEU A 525
HIS A 463
 None
 1.40A 5vkqA-3fhnA:
4.9
5vkqD-3fhnA:
4.8		 5vkqA-3fhnA:
17.55
5vkqD-3fhnA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 418
ILE A 305
ILE A 431
ILE A 311
ASN A 309
 None
 1.24A 5vkqA-3gdnA:
undetectable
5vkqD-3gdnA:
undetectable		 5vkqA-3gdnA:
15.43
5vkqD-3gdnA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ILE A 152
ILE A 145
LEU A 192
ILE A 159
ASN A 160
 None
 1.27A 5vkqA-3htxA:
undetectable
5vkqD-3htxA:
undetectable		 5vkqA-3htxA:
19.86
5vkqD-3htxA:
19.86
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ILE A 148
ILE A 217
LEU A 169
ILE A 179
ASN A 178
 None
 1.38A 5vkqA-3ijpA:
undetectable
5vkqD-3ijpA:
undetectable		 5vkqA-3ijpA:
11.53
5vkqD-3ijpA:
11.53
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.
3k40 AROMATIC-L-AMINO-ACI
D DECARBOXYLASE

(Drosophila
melanogaster) 		PF00282
(Pyridoxal_deC) 		5 ILE A 430
ILE A 424
LEU A 421
HIS A 378
ILE A 447
 None
 1.41A 5vkqA-3k40A:
0.0
5vkqD-3k40A:
undetectable		 5vkqA-3k40A:
13.98
5vkqD-3k40A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 TYR B1077
ILE B1165
LEU B1164
ILE B1139
ASN B1003
 None
 1.32A 5vkqA-3k70B:
3.2
5vkqD-3k70B:
3.2		 5vkqA-3k70B:
22.07
5vkqD-3k70B:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcm PUTATIVE
OXIDOREDUCTASE

(Streptococcus
mutans) 		PF02525
(Flavodoxin_2) 		5 TYR A  39
TYR A   7
ILE A   5
ILE A   3
ILE A  19
 None
 1.36A 5vkqA-3lcmA:
undetectable
5vkqD-3lcmA:
undetectable		 5vkqA-3lcmA:
7.16
5vkqD-3lcmA:
7.16
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.
3lue ALPHA-ACTININ-3

(Homo sapiens) 		PF00307
(CH) 		5 ILE K 141
ILE K 145
LEU K 146
ILE K 129
ASN K 133
 None
 1.34A 5vkqA-3lueK:
undetectable
5vkqD-3lueK:
undetectable		 5vkqA-3lueK:
5.24
5vkqD-3lueK:
5.24
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.
3o8j 2-METHYLCITRATE
SYNTHASE

(Salmonella
enterica) 		PF00285
(Citrate_synt) 		5 ILE A 223
ILE A 227
LEU A 230
HIS A  67
ILE A  66
 None
 1.18A 5vkqA-3o8jA:
undetectable
5vkqD-3o8jA:
undetectable		 5vkqA-3o8jA:
12.90
5vkqD-3o8jA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogg BOTULINUM NEUROTOXIN
TYPE D

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 TYR A1216
ILE A1101
ILE A1111
LEU A1118
ILE A1207
 None
 1.39A 5vkqA-3oggA:
undetectable
5vkqD-3oggA:
undetectable		 5vkqA-3oggA:
13.12
5vkqD-3oggA:
13.12
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		5 TYR A  61
ILE A 202
LEU A 223
HIS A  41
ASN A  42
 None
 1.23A 5vkqA-3pieA:
2.0
5vkqD-3pieA:
2.1		 5vkqA-3pieA:
20.63
5vkqD-3pieA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 419
ILE A 306
ILE A 432
ILE A 312
ASN A 310
 None
 1.23A 5vkqA-3redA:
undetectable
5vkqD-3redA:
undetectable		 5vkqA-3redA:
15.96
5vkqD-3redA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		5 TYR A   7
ILE A 354
LEU A 257
ILE A 247
ASN A 185
 EDO  A 376 ( 4.7A)
None
None
None
None
 1.32A 5vkqA-3uwcA:
undetectable
5vkqD-3uwcA:
undetectable		 5vkqA-3uwcA:
12.44
5vkqD-3uwcA:
12.44
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 TYR B 871
ILE B1014
LEU B1006
ILE B 851
ASN B 849
 SO4  B1199 ( 4.5A)
None
None
None
None
 1.46A 5vkqA-3v0aB:
5.4
5vkqD-3v0aB:
5.4		 5vkqA-3v0aB:
20.75
5vkqD-3v0aB:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vnf MEMBRANE-ASSOCIATED
PROTEIN VP24

(Sudan
ebolavirus) 		PF06389
(Filo_VP24) 		5 TYR A 197
ILE A 102
ILE A 122
LEU A 121
ILE A 181
 None
 1.46A 5vkqA-3vnfA:
undetectable
5vkqD-3vnfA:
undetectable		 5vkqA-3vnfA:
8.61
5vkqD-3vnfA:
8.61
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.
3vpc PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Sulfurisphaera
tokodaii) 		PF08443
(RimK) 		5 ILE A  52
ILE A  81
LEU A  61
ILE A  31
ASN A  32
 None
 1.24A 5vkqA-3vpcA:
undetectable
5vkqD-3vpcA:
undetectable		 5vkqA-3vpcA:
10.05
5vkqD-3vpcA:
10.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 105
ILE A 109
ILE A 113
LEU A 116
HIS A  84
 None
 1.08A 5vkqA-3zduA:
undetectable
5vkqD-3zduA:
undetectable		 5vkqA-3zduA:
11.68
5vkqD-3zduA:
11.68
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ILE A 362
ILE A 358
LEU A 355
ILE A 240
ASN A 241
 None
 0.81A 5vkqA-4a69A:
undetectable
5vkqD-4a69A:
undetectable		 5vkqA-4a69A:
12.64
5vkqD-4a69A:
12.64
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.
4d5r A49

(Vaccinia virus) 		PF06489
(Orthopox_A49R) 		5 TYR A 102
ILE A 146
ILE A  32
LEU A 151
ASN A 108
 None
 1.29A 5vkqA-4d5rA:
undetectable
5vkqD-4d5rA:
undetectable		 5vkqA-4d5rA:
7.16
5vkqD-4d5rA:
7.16
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		5 TYR A  20
ILE A  76
ILE A  47
LEU A  31
ILE A  69
 None
 1.37A 5vkqA-4eeiA:
2.4
5vkqD-4eeiA:
2.4		 5vkqA-4eeiA:
12.54
5vkqD-4eeiA:
12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 207
ILE A 284
LEU A 285
ILE A 141
ASN A 140
 None
 1.19A 5vkqA-4eutA:
undetectable
5vkqD-4eutA:
undetectable		 5vkqA-4eutA:
11.71
5vkqD-4eutA:
11.71
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.
4g4s PROTEASOME CHAPERONE
1

(Saccharomyces
cerevisiae) 		PF10450
(POC1) 		5 ILE O  52
ILE O 165
LEU O 212
ILE O 150
ASN O 148
 None
 1.06A 5vkqA-4g4sO:
undetectable
5vkqD-4g4sO:
undetectable		 5vkqA-4g4sO:
9.86
5vkqD-4g4sO:
9.86
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.
4hkj CPXV203 PROTEIN

(Cowpox virus) 		PF04490
(Pox_T4_C)
PF04491
(Pox_T4_N) 		5 TYR D 135
ILE D 105
ILE D 103
LEU D 129
HIS D 142
 None
 1.37A 5vkqA-4hkjD:
undetectable
5vkqD-4hkjD:
undetectable		 5vkqA-4hkjD:
8.52
5vkqD-4hkjD:
8.52
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ILE A 515
ILE A 519
LEU A 525
ILE A 646
ASN A 555
 None
 1.39A 5vkqA-4j0mA:
undetectable
5vkqD-4j0mA:
undetectable		 5vkqA-4j0mA:
16.87
5vkqD-4j0mA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 ILE A 110
ILE A 113
LEU A  59
HIS A  99
ILE A 659
 None
 1.23A 5vkqA-4jzaA:
undetectable
5vkqD-4jzaA:
undetectable		 5vkqA-4jzaA:
18.83
5vkqD-4jzaA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l82 RIFEA.00250.A

(Rickettsia
felis) 		PF01613
(Flavin_Reduct) 		5 TYR A 125
ILE A  24
ILE A  23
LEU A  75
ILE A  50
 None
 1.32A 5vkqA-4l82A:
undetectable
5vkqD-4l82A:
undetectable		 5vkqA-4l82A:
7.03
5vkqD-4l82A:
7.03
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 5 ILE A 306
ILE A 299
LEU A 135
HIS A 277
ILE A 276
 HEC  A 802 ( 4.4A)
None
None
HEC  A 801 ( 3.0A)
HEC  A 801 ( 4.3A)
 1.38A 5vkqA-4lmhA:
undetectable
5vkqD-4lmhA:
undetectable		 5vkqA-4lmhA:
18.57
5vkqD-4lmhA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxy WLARD, A SUGAR
3N-FORMYL
TRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 ILE A   6
ILE A  30
LEU A  21
ILE A  12
ASN A  10
 None
 1.30A 5vkqA-4lxyA:
undetectable
5vkqD-4lxyA:
undetectable		 5vkqA-4lxyA:
10.15
5vkqD-4lxyA:
10.15
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.
4m0m PUTATIVE
UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 ILE A  96
ILE A 100
LEU A 103
ILE A 659
ASN A 655
 None
 1.35A 5vkqA-4m0mA:
4.3
5vkqD-4m0mA:
4.3		 5vkqA-4m0mA:
18.36
5vkqD-4m0mA:
18.36
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE B 124
ILE B 121
LEU B 247
HIS B 142
ILE B 145
 None
 1.24A 5vkqA-4o27B:
undetectable
5vkqD-4o27B:
undetectable		 5vkqA-4o27B:
10.11
5vkqD-4o27B:
10.11
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.
4pv5 LACTOYLGLUTATHIONE
LYASE

(Mus musculus) 		PF00903
(Glyoxalase) 		5 TYR A 115
TYR A 170
ILE A 172
ILE A 174
LEU A 175
 None
 1.17A 5vkqA-4pv5A:
undetectable
5vkqD-4pv5A:
undetectable		 5vkqA-4pv5A:
7.50
5vkqD-4pv5A:
7.50
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.
4q58 PLECTIN

(Homo sapiens) 		PF00307
(CH) 		5 ILE A 137
ILE A 141
LEU A 142
ILE A 125
ASN A 129
 None
 1.30A 5vkqA-4q58A:
undetectable
5vkqD-4q58A:
undetectable		 5vkqA-4q58A:
9.02
5vkqD-4q58A:
9.02
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.
4r6i ANTHRAX TOXIN
EXPRESSION
TRANS-ACTING
POSITIVE REGULATOR

(Bacillus
anthracis) 		PF00874
(PRD)
PF05043
(Mga)
PF08279
(HTH_11) 		5 ILE A 471
ILE A 475
LEU A 419
HIS A 404
ILE A 408
 None
 1.42A 5vkqA-4r6iA:
undetectable
5vkqD-4r6iA:
undetectable		 5vkqA-4r6iA:
13.77
5vkqD-4r6iA:
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 440
ILE A 503
LEU A 501
ILE A 443
ASN A 444
 None
 1.19A 5vkqA-4w7sA:
undetectable
5vkqD-4w7sA:
undetectable		 5vkqA-4w7sA:
14.64
5vkqD-4w7sA:
14.64
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.
4yhx RIBOSOMAL PROTEIN
3/HOMING
ENDONUCLEASE-LIKE
FUSION PROTEIN

(Grosmannia
penicillata) 		PF00961
(LAGLIDADG_1) 		5 ILE A 254
ILE A 250
LEU A 203
ILE A 263
ASN A 262
 None
 1.40A 5vkqA-4yhxA:
undetectable
5vkqD-4yhxA:
undetectable		 5vkqA-4yhxA:
11.72
5vkqD-4yhxA:
11.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ys4 MEROZOITE SURFACE
PROTEIN P41

(Plasmodium
falciparum) 		PF07422
(s48_45) 		5 ILE A 334
ILE A 314
LEU A 313
HIS A 257
ILE A 272
 None
None
None
MLY  A 264 ( 3.8A)
None
 1.28A 5vkqA-4ys4A:
undetectable
5vkqD-4ys4A:
undetectable		 5vkqA-4ys4A:
11.28
5vkqD-4ys4A:
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.
4z6g MICROTUBULE-ACTIN
CROSS-LINKING FACTOR
1, ISOFORMS 1/2/3/5

(Homo sapiens) 		PF00307
(CH) 		5 ILE A 140
ILE A 144
LEU A 145
ILE A 128
ASN A 132
 None
 1.29A 5vkqA-4z6gA:
undetectable
5vkqD-4z6gA:
undetectable		 5vkqA-4z6gA:
12.05
5vkqD-4z6gA:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zu9 ELONGATION FACTOR
SELB

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF09107
(SelB-wing_3) 		5 ILE A  48
ILE A  59
LEU A   5
ILE A  53
ASN A  54
 None
 1.16A 5vkqA-4zu9A:
undetectable
5vkqD-4zu9A:
undetectable		 5vkqA-4zu9A:
16.20
5vkqD-4zu9A:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a4b HUMAN
ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH) 		5 ILE A 134
ILE A 138
LEU A 139
ILE A 122
ASN A 126
 None
 1.24A 5vkqA-5a4bA:
undetectable
5vkqD-5a4bA:
undetectable		 5vkqA-5a4bA:
8.38
5vkqD-5a4bA:
8.38
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.
5bk6 PUTATIVE AMIDASE

(Rhizobium
leguminosarum) 		no annotation 5 ILE A  33
ILE A  34
LEU A  69
ILE A 162
ASN A  29
 None
 1.34A 5vkqA-5bk6A:
undetectable
5vkqD-5bk6A:
undetectable		 5vkqA-5bk6A:
undetectable
5vkqD-5bk6A:
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.
5d5p HCGB

(Methanococcus
maripaludis) 		PF11576
(DUF3236) 		5 ILE A  30
ILE A  34
LEU A  97
ILE A   7
ASN A   5
 None
 1.39A 5vkqA-5d5pA:
undetectable
5vkqD-5d5pA:
undetectable		 5vkqA-5d5pA:
7.45
5vkqD-5d5pA:
7.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		5 ILE A 645
ILE A 712
LEU A 766
ILE A 663
ASN A 662
 None
 1.43A 5vkqA-5ezrA:
undetectable
5vkqD-5ezrA:
undetectable		 5vkqA-5ezrA:
19.39
5vkqD-5ezrA:
19.39
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.
5h7j ELONGATION FACTOR 2

(Pyrococcus
horikoshii) 		no annotation 5 TYR A 626
ILE A 614
ILE A 610
LEU A 564
ILE A 586
 None
 1.31A 5vkqA-5h7jA:
undetectable
5vkqD-5h7jA:
undetectable		 5vkqA-5h7jA:
undetectable
5vkqD-5h7jA:
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.
5hj5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 ILE A 199
ILE A 201
LEU A 202
ILE A 131
ASN A 132
 None
 1.43A 5vkqA-5hj5A:
undetectable
5vkqD-5hj5A:
undetectable		 5vkqA-5hj5A:
9.29
5vkqD-5hj5A:
9.29
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.
5i4c TRANSCRIPTIONAL
REGULATORY PROTEIN
RCSB

(Escherichia
coli) 		PF00072
(Response_reg) 		5 ILE A   7
ILE A   8
LEU A  16
ILE A  42
ASN A  43
 None
 1.43A 5vkqA-5i4cA:
undetectable
5vkqD-5i4cA:
undetectable		 5vkqA-5i4cA:
6.20
5vkqD-5i4cA:
6.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuf BIFUNCTIONAL
OLIGORIBONUCLEASE
AND PAP PHOSPHATASE
NRNA

(Bacillus
subtilis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 TYR A  71
ILE A   9
ILE A   6
ILE A  47
ASN A  46
 None
 1.39A 5vkqA-5iufA:
undetectable
5vkqD-5iufA:
undetectable		 5vkqA-5iufA:
10.68
5vkqD-5iufA:
10.68
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.
5j7u MAJOR CAPSID PROTEIN

(Faustovirus) 		PF04451
(Capsid_NCLDV) 		5 ILE A 611
ILE A 446
LEU A 568
ILE A 206
ASN A 209
 None
 1.27A 5vkqA-5j7uA:
undetectable
5vkqD-5j7uA:
undetectable		 5vkqA-5j7uA:
17.23
5vkqD-5j7uA:
17.23
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		5 TYR A 185
TYR A 247
ILE A 248
ILE A 253
ILE A 243
 None
None
None
GOL  A 802 (-4.4A)
None
 1.03A 5vkqA-5jjhA:
undetectable
5vkqD-5jjhA:
undetectable		 5vkqA-5jjhA:
18.36
5vkqD-5jjhA:
18.36
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.
5k4p PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 TYR A 403
ILE A 442
ILE A 446
LEU A 449
ASN A 328
 None
 1.43A 5vkqA-5k4pA:
undetectable
5vkqD-5k4pA:
undetectable		 5vkqA-5k4pA:
11.69
5vkqD-5k4pA:
11.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ke1 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin)
PF12951
(PATR) 		5 TYR A 716
TYR A 718
ILE A 695
LEU A 664
ASN A 680
 None
 1.45A 5vkqA-5ke1A:
undetectable
5vkqD-5ke1A:
undetectable		 5vkqA-5ke1A:
11.64
5vkqD-5ke1A:
11.64
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 TYR A 218
ILE A 247
ILE A 244
LEU A 292
HIS A 450
 None
 1.24A 5vkqA-5kf7A:
1.8
5vkqD-5kf7A:
undetectable		 5vkqA-5kf7A:
23.33
5vkqD-5kf7A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lzk PROTEIN FAM83B

(Homo sapiens) 		PF07894
(DUF1669) 		5 ILE A 178
ILE A 205
LEU A 202
HIS A 187
ASN A 186
 None
 1.24A 5vkqA-5lzkA:
undetectable
5vkqD-5lzkA:
undetectable		 5vkqA-5lzkA:
7.45
5vkqD-5lzkA:
7.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkc CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN (JO),CELL
WALL SURFACE ANCHOR
FAMILY PROTEIN (IN)

(Streptococcus
pneumoniae) 		no annotation 5 ILE A 193
ILE A 206
LEU A 208
ILE A 160
ASN A 178
 None
 1.13A 5vkqA-5mkcA:
undetectable
5vkqD-5mkcA:
undetectable		 5vkqA-5mkcA:
9.19
5vkqD-5mkcA:
9.19
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.
5mx9 PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-2

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 TYR A 403
ILE A 442
ILE A 446
LEU A 449
ASN A 328
 None
 1.44A 5vkqA-5mx9A:
undetectable
5vkqD-5mx9A:
undetectable		 5vkqA-5mx9A:
11.57
5vkqD-5mx9A:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 LYS A 606
ILE A 605
ILE A 578
LEU A 612
ILE A 517
 None
 1.40A 5vkqA-5n94A:
undetectable
5vkqD-5n94A:
2.3		 5vkqA-5n94A:
undetectable
5vkqD-5n94A:
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 ILE A 186
ILE A 188
LEU A 177
ILE A 166
ASN A 165
 None
 0.90A 5vkqA-5ovnA:
undetectable
5vkqD-5ovnA:
undetectable		 5vkqA-5ovnA:
undetectable
5vkqD-5ovnA:
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.
5tcs KINETOCHORE PROTEIN
NDC80

(Saccharomyces
cerevisiae) 		PF03801
(Ndc80_HEC) 		5 TYR A 188
ILE A 187
ILE A 183
ILE A 202
ASN A 203
 None
 1.37A 5vkqA-5tcsA:
3.8
5vkqD-5tcsA:
3.8		 5vkqA-5tcsA:
9.55
5vkqD-5tcsA:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uki RNA LARIAT
DEBRANCHING ENZYME,
PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 ILE A 176
ILE A 174
LEU A 221
HIS A 236
ILE A 245
 None
 1.45A 5vkqA-5ukiA:
undetectable
5vkqD-5ukiA:
undetectable		 5vkqA-5ukiA:
undetectable
5vkqD-5ukiA:
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.
5uv2 (+)-LIMONENE
SYNTHASE

(Citrus sinensis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 TYR A 118
ILE A 462
LEU A 467
ILE A 319
ASN A 556
 None
 1.27A 5vkqA-5uv2A:
2.1
5vkqD-5uv2A:
2.1		 5vkqA-5uv2A:
17.26
5vkqD-5uv2A:
17.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vkq NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L

(Drosophila
melanogaster) 		PF00023
(Ank)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		6 TYR A1528
TYR A1532
LYS A1535
ILE A1536
ILE A1540
LEU A1543
 PCF  A1803 (-4.5A)
PCF  A1803 (-2.6A)
PCF  A1803 (-4.6A)
PCF  A1803 (-4.6A)
PCF  A1803 ( 4.7A)
PCF  A1803 ( 4.8A)
 0.00A 5vkqA-5vkqA:
51.0
5vkqD-5vkqA:
48.5		 5vkqA-5vkqA:
100.00
5vkqD-5vkqA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 5 ILE A 339
ILE A 305
LEU A 239
ILE A 324
ASN A 327
 None
 1.20A 5vkqA-5w7pA:
4.0
5vkqD-5w7pA:
4.0		 5vkqA-5w7pA:
undetectable
5vkqD-5w7pA:
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.
5x68 KYNURENINE
3-MONOOXYGENASE

(Homo sapiens) 		no annotation 5 TYR A 364
ILE A 215
ILE A 224
LEU A 226
ILE A  97
 None
 1.11A 5vkqA-5x68A:
undetectable
5vkqD-5x68A:
undetectable		 5vkqA-5x68A:
undetectable
5vkqD-5x68A:
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.
5xwb 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Colwellia
psychrerythraea) 		PF00275
(EPSP_synthase) 		5 ILE A 177
ILE A 180
LEU A 183
ILE A 202
ASN A 218
 None
 1.44A 5vkqA-5xwbA:
undetectable
5vkqD-5xwbA:
undetectable		 5vkqA-5xwbA:
14.26
5vkqD-5xwbA:
14.26
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 ILE A  22
ILE A 154
LEU A 153
ILE A  19
ASN A  17
 None
 1.45A 5vkqA-6bvdA:
undetectable
5vkqD-6bvdA:
undetectable		 5vkqA-6bvdA:
undetectable
5vkqD-6bvdA:
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.
6d3u ULVAN LYASE

(Nonlabens
ulvanivorans) 		no annotation 5 TYR A 278
ILE A 232
ILE A 256
LEU A 221
ILE A 276
 None
 1.42A 5vkqA-6d3uA:
undetectable
5vkqD-6d3uA:
undetectable		 5vkqA-6d3uA:
undetectable
5vkqD-6d3uA:
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.
6d6v TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		no annotation 5 ILE A1091
ILE A1088
LEU A1085
ILE A1020
ASN A1016
 None
 1.23A 5vkqA-6d6vA:
5.0
5vkqD-6d6vA:
5.0		 5vkqA-6d6vA:
undetectable
5vkqD-6d6vA:
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.
6g74 QUINOLINATE SYNTHASE
A

(Thermotoga
maritima) 		no annotation 5 LYS A 288
ILE A 290
ILE A 121
LEU A 106
ILE A 283
 None
 1.05A 5vkqA-6g74A:
undetectable
5vkqD-6g74A:
undetectable		 5vkqA-6g74A:
undetectable
5vkqD-6g74A:
undetectable