SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_C_PCFC1801_0

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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 TYR C 296
ILE C 291
ILE C 531
LEU C 528
 None
None
ACT  C1609 (-3.8A)
None
 0.78A 5vkqB-1d7wC:
0.0
5vkqC-1d7wC:
0.0		 5vkqB-1d7wC:
14.08
5vkqC-1d7wC:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1del DEOXYNUCLEOSIDE
MONOPHOSPHATE KINASE

(Escherichia
virus T4) 		no annotation 4 ILE A  96
LYS A 117
ILE A 118
ILE A 122
 None
 0.75A 5vkqB-1delA:
0.0
5vkqC-1delA:
0.0		 5vkqB-1delA:
10.19
5vkqC-1delA:
10.19
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.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		4 TYR A 346
ILE A  26
ILE A  61
LEU A  63
 None
 0.77A 5vkqB-1eceA:
0.0
5vkqC-1eceA:
0.0		 5vkqB-1eceA:
12.41
5vkqC-1eceA:
12.41
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.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		4 ILE A 400
LYS A 397
ILE A 427
ILE A 430
 None
 0.77A 5vkqB-1fc9A:
0.0
5vkqC-1fc9A:
0.0		 5vkqB-1fc9A:
13.80
5vkqC-1fc9A:
13.80
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.
1fiu TYPE II RESTRICTION
ENZYME NGOMI

(Neisseria
gonorrhoeae) 		PF09015
(NgoMIV_restric) 		4 ILE A 164
ILE A 153
ILE A 148
LEU A 147
 None
 0.78A 5vkqB-1fiuA:
0.0
5vkqC-1fiuA:
0.1		 5vkqB-1fiuA:
10.70
5vkqC-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.
1huq RAB5C

(Mus musculus) 		PF00071
(Ras) 		4 HIS A  84
TYR A  91
ILE A  74
LEU A  59
 None
 0.81A 5vkqB-1huqA:
0.0
5vkqC-1huqA:
0.0		 5vkqB-1huqA:
7.17
5vkqC-1huqA:
7.17
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 HIS A 224
ILE A 226
TYR A 161
ILE A 238
 None
 0.82A 5vkqB-1itzA:
0.0
5vkqC-1itzA:
0.0		 5vkqB-1itzA:
18.78
5vkqC-1itzA:
18.78
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 LYS A 293
ILE A 294
ILE A 298
LEU A 301
 None
 0.82A 5vkqB-1lwhA:
0.0
5vkqC-1lwhA:
0.0		 5vkqB-1lwhA:
13.65
5vkqC-1lwhA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		4 ILE A  29
LYS A  14
ILE A   6
ILE A   4
 None
 0.79A 5vkqB-1nyqA:
0.0
5vkqC-1nyqA:
0.0		 5vkqB-1nyqA:
17.09
5vkqC-1nyqA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o3u CONSERVED
HYPOTHETICAL PROTEIN
TM0613

(Thermotoga
maritima) 		PF05168
(HEPN) 		4 TYR A 108
LYS A 111
ILE A 112
LEU A 119
 None
 0.67A 5vkqB-1o3uA:
undetectable
5vkqC-1o3uA:
undetectable		 5vkqB-1o3uA:
6.22
5vkqC-1o3uA:
6.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obf GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Achromobacter
xylosoxidans) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 HIS O  20
ILE O  29
TYR O   9
ILE O 120
ILE O 149
 None
 1.40A 5vkqB-1obfO:
undetectable
5vkqC-1obfO:
undetectable		 5vkqB-1obfO:
12.42
5vkqC-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.
1oz9 HYPOTHETICAL PROTEIN
AQ_1354

(Aquifex
aeolicus) 		PF02130
(UPF0054) 		4 ILE A  47
ILE A 113
ILE A 117
LEU A 120
 None
 0.78A 5vkqB-1oz9A:
undetectable
5vkqC-1oz9A:
undetectable		 5vkqB-1oz9A:
6.67
5vkqC-1oz9A:
6.67
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 HIS A 475
ILE A 473
TYR A 433
ILE A 396
 None
 0.70A 5vkqB-1qafA:
undetectable
5vkqC-1qafA:
undetectable		 5vkqB-1qafA:
17.12
5vkqC-1qafA:
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 HIS A 211
ILE A 213
TYR A 148
ILE A 224
 None
 0.84A 5vkqB-1qgdA:
undetectable
5vkqC-1qgdA:
undetectable		 5vkqB-1qgdA:
16.71
5vkqC-1qgdA:
16.71
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.
1s2x CAG-Z

(Helicobacter
pylori) 		PF09053
(CagZ) 		4 TYR A 172
ILE A 168
ILE A 164
LEU A 161
 None
 0.74A 5vkqB-1s2xA:
2.4
5vkqC-1s2xA:
2.3		 5vkqB-1s2xA:
7.87
5vkqC-1s2xA:
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.
1vkd CONSERVED
HYPOTHETICAL PROTEIN
TM1225

(Thermotoga
maritima) 		PF04041
(Glyco_hydro_130) 		4 HIS A  64
ILE A  62
ILE A  33
ILE A  32
 None
 0.84A 5vkqB-1vkdA:
undetectable
5vkqC-1vkdA:
undetectable		 5vkqB-1vkdA:
10.97
5vkqC-1vkdA:
10.97
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.
1vp4 AMINOTRANSFERASE,
PUTATIVE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		4 LYS A 391
ILE A 392
ILE A 396
LEU A 399
 None
 0.77A 5vkqB-1vp4A:
2.6
5vkqC-1vp4A:
2.6		 5vkqB-1vp4A:
12.97
5vkqC-1vp4A:
12.97
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.
1x0m AMINOTRANSFERASE II
HOMOLOGUE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 LYS A 410
ILE A 411
ILE A 415
LEU A 418
 None
 0.63A 5vkqB-1x0mA:
undetectable
5vkqC-1x0mA:
undetectable		 5vkqB-1x0mA:
12.87
5vkqC-1x0mA:
12.87
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.
1xkq SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5D234)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		4 HIS A 135
ILE A  87
ILE A 239
LEU A 240
 None
 0.67A 5vkqB-1xkqA:
undetectable
5vkqC-1xkqA:
undetectable		 5vkqB-1xkqA:
10.87
5vkqC-1xkqA:
10.87
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.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		5 ILE A 299
TYR A 325
ILE A 304
ILE A 308
LEU A 309
 None
 1.45A 5vkqB-1xr5A:
undetectable
5vkqC-1xr5A:
undetectable		 5vkqB-1xr5A:
12.78
5vkqC-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.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		4 HIS A 227
ILE A 232
TYR A 196
ILE A  17
 None
 0.82A 5vkqB-1yifA:
undetectable
5vkqC-1yifA:
undetectable		 5vkqB-1yifA:
14.96
5vkqC-1yifA:
14.96
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.
1zy4 SERINE/THREONINE-PRO
TEIN KINASE GCN2

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ILE A 831
ILE A 851
ILE A 819
LEU A 820
 None
 0.73A 5vkqB-1zy4A:
undetectable
5vkqC-1zy4A:
undetectable		 5vkqB-1zy4A:
11.23
5vkqC-1zy4A:
11.23
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.
2bbh DIVALENT CATION
TRANSPORT-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01544
(CorA) 		4 LYS A 187
ILE A 188
ILE A 192
LEU A 195
 None
 0.69A 5vkqB-2bbhA:
4.0
5vkqC-2bbhA:
4.0		 5vkqB-2bbhA:
10.78
5vkqC-2bbhA:
10.78
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.
2o2z HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF01933
(UPF0052) 		4 ILE A 175
LYS A 212
ILE A 310
LEU A 311
 None
 0.79A 5vkqB-2o2zA:
undetectable
5vkqC-2o2zA:
undetectable		 5vkqB-2o2zA:
11.23
5vkqC-2o2zA:
11.23
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.
2plg TLL0839 PROTEIN

(Synechococcus
elongatus) 		PF10722
(YbjN) 		4 ILE A 126
ILE A  28
ILE A  32
LEU A  35
 None
 0.65A 5vkqB-2plgA:
undetectable
5vkqC-2plgA:
undetectable		 5vkqB-2plgA:
6.70
5vkqC-2plgA:
6.70
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.
2q12 DCC-INTERACTING
PROTEIN 13 ALPHA

(Homo sapiens) 		PF16746
(BAR_3) 		4 TYR A 190
LYS A 193
ILE A 194
LEU A 201
 None
 0.44A 5vkqB-2q12A:
2.4
5vkqC-2q12A:
2.4		 5vkqB-2q12A:
9.54
5vkqC-2q12A:
9.54
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.
2rin PUTATIVE GLYCINE
BETAINE-BINDING ABC
TRANSPORTER PROTEIN

(Sinorhizobium
meliloti) 		PF04069
(OpuAC) 		4 ILE A 138
TYR A 230
ILE A 162
ILE A 163
 None
 0.80A 5vkqB-2rinA:
undetectable
5vkqC-2rinA:
undetectable		 5vkqB-2rinA:
10.46
5vkqC-2rinA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 HIS X 651
ILE X 245
ILE X 215
LEU X 216
 None
 0.78A 5vkqB-2y9eX:
undetectable
5vkqC-2y9eX:
2.1		 5vkqB-2y9eX:
18.71
5vkqC-2y9eX:
18.71
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ILE A 343
ILE A 359
ILE A 367
LEU A 366
 None
 0.79A 5vkqB-3da1A:
undetectable
5vkqC-3da1A:
undetectable		 5vkqB-3da1A:
15.55
5vkqC-3da1A:
15.55
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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		4 TYR C 307
ILE C 351
ILE C 350
LEU C 346
 None
 0.81A 5vkqB-3degC:
undetectable
5vkqC-3degC:
undetectable		 5vkqB-3degC:
16.09
5vkqC-3degC:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		4 HIS A  28
ILE A  12
TYR A  79
ILE A  61
 None
 0.78A 5vkqB-3djcA:
undetectable
5vkqC-3djcA:
undetectable		 5vkqB-3djcA:
9.39
5vkqC-3djcA:
9.39
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ILE A 328
TYR A 363
ILE A 399
LEU A 417
 None
 0.80A 5vkqB-3e2sA:
undetectable
5vkqC-3e2sA:
undetectable		 5vkqB-3e2sA:
16.18
5vkqC-3e2sA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		4 ILE A 101
LYS A 209
ILE A 210
ILE A 214
 None
 0.76A 5vkqB-3fqdA:
undetectable
5vkqC-3fqdA:
undetectable		 5vkqB-3fqdA:
19.94
5vkqC-3fqdA:
19.94
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.
3jcm PRE-MRNA-SPLICING
FACTOR 6

(Saccharomyces
cerevisiae) 		PF06424
(PRP1_N) 		4 TYR G 740
ILE G 744
ILE G 748
LEU G 753
 None
 0.80A 5vkqB-3jcmG:
undetectable
5vkqC-3jcmG:
undetectable		 5vkqB-3jcmG:
19.35
5vkqC-3jcmG:
19.35
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.
3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		4 ILE A 207
ILE A 199
ILE A 195
LEU A 192
 None
 0.72A 5vkqB-3l0oA:
undetectable
5vkqC-3l0oA:
undetectable		 5vkqB-3l0oA:
13.53
5vkqC-3l0oA:
13.53
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.
3lcm PUTATIVE
OXIDOREDUCTASE

(Streptococcus
mutans) 		PF02525
(Flavodoxin_2) 		5 ILE A  19
TYR A  39
TYR A   7
ILE A   5
ILE A   3
 None
 1.37A 5vkqB-3lcmA:
undetectable
5vkqC-3lcmA:
undetectable		 5vkqB-3lcmA:
7.16
5vkqC-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.
3lyb PUTATIVE
ENDORIBONUCLEASE

(Klebsiella
pneumoniae) 		PF01042
(Ribonuc_L-PSP) 		4 ILE A  80
ILE A 141
ILE A  69
LEU A  70
 None
 0.75A 5vkqB-3lybA:
undetectable
5vkqC-3lybA:
undetectable		 5vkqB-3lybA:
7.16
5vkqC-3lybA:
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.
3nvt 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE SYNTHASE

(Listeria
monocytogenes) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 TYR A 201
ILE A 228
ILE A 256
LEU A 258
 None
 0.83A 5vkqB-3nvtA:
undetectable
5vkqC-3nvtA:
undetectable		 5vkqB-3nvtA:
14.00
5vkqC-3nvtA:
14.00
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.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2

(Saccharomyces
cerevisiae) 		PF10193
(Telomere_reg-2) 		4 TYR A 479
ILE A 483
ILE A 487
LEU A 490
 None
 0.66A 5vkqB-3o4zA:
3.4
5vkqC-3o4zA:
3.7		 5vkqB-3o4zA:
17.39
5vkqC-3o4zA:
17.39
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.
3o6x GLUTAMINE SYNTHETASE

(Bacteroides
fragilis) 		PF00120
(Gln-synt_C)
PF12437
(GSIII_N) 		4 TYR A 697
ILE A 701
ILE A 705
LEU A 708
 None
 0.82A 5vkqB-3o6xA:
3.5
5vkqC-3o6xA:
3.5		 5vkqB-3o6xA:
18.43
5vkqC-3o6xA:
18.43
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.
3o8j 2-METHYLCITRATE
SYNTHASE

(Salmonella
enterica) 		PF00285
(Citrate_synt) 		5 HIS A  67
ILE A  66
ILE A 223
ILE A 227
LEU A 230
 None
 1.17A 5vkqB-3o8jA:
1.9
5vkqC-3o8jA:
1.9		 5vkqB-3o8jA:
12.90
5vkqC-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.
3q7h ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Coxiella
burnetii) 		PF00574
(CLP_protease) 		4 HIS A 158
ILE A  65
ILE A  94
LEU A 116
 None
 0.78A 5vkqB-3q7hA:
undetectable
5vkqC-3q7hA:
undetectable		 5vkqB-3q7hA:
8.71
5vkqC-3q7hA:
8.71
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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		4 TYR A 118
ILE A 122
ILE A 126
LEU A 129
 None
 0.74A 5vkqB-3tqoA:
undetectable
5vkqC-3tqoA:
undetectable		 5vkqB-3tqoA:
14.63
5vkqC-3tqoA:
14.63
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.
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 TYR A 251
ILE A 255
ILE A 259
LEU A 262
 None
 0.68A 5vkqB-3u1kA:
2.4
5vkqC-3u1kA:
2.3		 5vkqB-3u1kA:
17.11
5vkqC-3u1kA:
17.11
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.
3uau SURFACE-EXPOSED
LIPOPROTEIN

(Campylobacter
jejuni) 		PF16668
(JLPA) 		4 LYS A 155
ILE A 156
ILE A 160
LEU A 163
 None
 0.69A 5vkqB-3uauA:
3.1
5vkqC-3uauA:
3.1		 5vkqB-3uauA:
12.91
5vkqC-3uauA:
12.91
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 TYR A 105
ILE A 109
ILE A 113
LEU A 116
 None
 0.74A 5vkqB-3zduA:
undetectable
5vkqC-3zduA:
undetectable		 5vkqB-3zduA:
11.68
5vkqC-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) 		4 ILE A 240
ILE A 362
ILE A 358
LEU A 355
 None
 0.74A 5vkqB-4a69A:
undetectable
5vkqC-4a69A:
undetectable		 5vkqB-4a69A:
12.64
5vkqC-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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		4 TYR A 978
ILE A 635
ILE A 652
LEU A 649
 None
 0.83A 5vkqB-4azcA:
undetectable
5vkqC-4azcA:
undetectable		 5vkqB-4azcA:
12.92
5vkqC-4azcA:
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 TYR A 888
LYS A 863
ILE A 862
ILE A 841
 None
 0.70A 5vkqB-4ecoA:
undetectable
5vkqC-4ecoA:
undetectable		 5vkqB-4ecoA:
16.26
5vkqC-4ecoA:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 ILE A 324
LYS A 206
ILE A 207
LEU A 214
 None
 0.84A 5vkqB-4fgmA:
undetectable
5vkqC-4fgmA:
undetectable		 5vkqB-4fgmA:
15.61
5vkqC-4fgmA:
15.61
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.
4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE

(Cupriavidus
pinatubonensis) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 LYS A 423
ILE A 424
ILE A 428
LEU A 431
 None
 0.81A 5vkqB-4g5eA:
undetectable
5vkqC-4g5eA:
undetectable		 5vkqB-4g5eA:
14.60
5vkqC-4g5eA:
14.60
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.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		4 ILE A 297
ILE A 266
ILE A 262
LEU A 259
 None
 0.77A 5vkqB-4gs5A:
undetectable
5vkqC-4gs5A:
undetectable		 5vkqB-4gs5A:
12.77
5vkqC-4gs5A:
12.77
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.
4jx2 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		no annotation 4 ILE A 178
ILE A 206
ILE A 202
LEU A 199
 None
None
None
PEG  A 511 ( 4.4A)
 0.69A 5vkqB-4jx2A:
2.8
5vkqC-4jx2A:
undetectable		 5vkqB-4jx2A:
13.45
5vkqC-4jx2A:
13.45
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.
4kss TYPE II SECRETION
SYSTEM PROTEIN E,
HEMOLYSIN-COREGULATE
D PROTEIN

(Pseudomonas
aeruginosa;
Vibrio cholerae) 		PF00437
(T2SSE)
PF05638
(T6SS_HCP) 		4 ILE A 135
ILE A 142
ILE A 153
LEU A 165
 None
 0.79A 5vkqB-4kssA:
undetectable
5vkqC-4kssA:
undetectable		 5vkqB-4kssA:
15.84
5vkqC-4kssA:
15.84
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ILE A 328
TYR A 363
ILE A 399
LEU A 417
 None
 0.80A 5vkqB-4o8aA:
undetectable
5vkqC-4o8aA:
undetectable		 5vkqB-4o8aA:
17.77
5vkqC-4o8aA:
17.77
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.
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 5vkqB-4pv5A:
undetectable
5vkqC-4pv5A:
undetectable		 5vkqB-4pv5A:
7.50
5vkqC-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.
4twk POTASSIUM CHANNEL
SUBFAMILY K MEMBER 2

(Homo sapiens) 		PF07885
(Ion_trans_2) 		4 LYS A 156
ILE A 157
ILE A 161
LEU A 164
 None
 0.74A 5vkqB-4twkA:
undetectable
5vkqC-4twkA:
undetectable		 5vkqB-4twkA:
9.99
5vkqC-4twkA:
9.99
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.
4zmm DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		4 ILE A 303
ILE A 216
ILE A 215
LEU A 320
 None
 0.83A 5vkqB-4zmmA:
undetectable
5vkqC-4zmmA:
undetectable		 5vkqB-4zmmA:
8.52
5vkqC-4zmmA:
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Oryctolagus
cuniculus) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		4 HIS C 845
TYR C 795
ILE C 826
ILE C 827
 None
 0.78A 5vkqB-5a5tC:
3.2
5vkqC-5a5tC:
3.1		 5vkqB-5a5tC:
18.88
5vkqC-5a5tC:
18.88
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 TYR A  79
ILE A  83
ILE A  87
LEU A  90
 None
 0.67A 5vkqB-5bnzA:
undetectable
5vkqC-5bnzA:
undetectable		 5vkqB-5bnzA:
14.55
5vkqC-5bnzA:
14.55
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.
5clr LEGK4

(Legionella
pneumophila) 		PF00069
(Pkinase) 		4 TYR A 364
ILE A 360
ILE A 356
LEU A 353
 None
 0.74A 5vkqB-5clrA:
2.4
5vkqC-5clrA:
2.4		 5vkqB-5clrA:
14.54
5vkqC-5clrA:
14.54
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO) 		4 ILE B  30
ILE A 173
ILE B  19
LEU B  20
 None
 0.83A 5vkqB-5djqB:
undetectable
5vkqC-5djqB:
undetectable		 5vkqB-5djqB:
7.79
5vkqC-5djqB:
7.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		4 TYR A 637
ILE A 641
ILE A 645
LEU A 648
 None
 0.71A 5vkqB-5ezrA:
undetectable
5vkqC-5ezrA:
undetectable		 5vkqB-5ezrA:
19.39
5vkqC-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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		no annotation 4 ILE I 507
ILE I 373
ILE I 377
LEU I 380
 None
 0.74A 5vkqB-5furI:
undetectable
5vkqC-5furI:
undetectable		 5vkqB-5furI:
20.99
5vkqC-5furI:
20.99
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.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 4 TYR A 315
ILE A 311
ILE A 307
LEU A 304
 None
 0.81A 5vkqB-5gheA:
2.4
5vkqC-5gheA:
2.4		 5vkqB-5gheA:
13.23
5vkqC-5gheA:
13.23
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.
5h5c MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Kluyveromyces
lactis) 		no annotation 4 ILE A 221
ILE A 186
ILE A 188
LEU A 124
 None
 0.82A 5vkqB-5h5cA:
undetectable
5vkqC-5h5cA:
undetectable		 5vkqB-5h5cA:
9.65
5vkqC-5h5cA:
9.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hmp UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF00063
(Myosin_head) 		4 LYS A 325
ILE A 326
ILE A 330
LEU A 333
 None
 0.71A 5vkqB-5hmpA:
2.5
5vkqC-5hmpA:
2.4		 5vkqB-5hmpA:
19.19
5vkqC-5hmpA:
19.19
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		4 ILE A  17
TYR A 238
ILE A 209
LEU A 210
 NAD  A 302 (-3.8A)
None
IPH  A 303 (-4.0A)
None
 0.81A 5vkqB-5ilgA:
undetectable
5vkqC-5ilgA:
undetectable		 5vkqB-5ilgA:
9.90
5vkqC-5ilgA:
9.90
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 LYS A  86
ILE A  87
ILE A  91
LEU A  94
 None
 0.70A 5vkqB-5iqkA:
undetectable
5vkqC-5iqkA:
undetectable		 5vkqB-5iqkA:
10.45
5vkqC-5iqkA:
10.45
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.
5kuc PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 4 TYR A 315
ILE A 311
ILE A 307
LEU A 304
 None
 0.75A 5vkqB-5kucA:
2.5
5vkqC-5kucA:
2.5		 5vkqB-5kucA:
14.41
5vkqC-5kucA:
14.41
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.
5lfd ALLANTOIN RACEMASE

(Pseudomonas
fluorescens) 		no annotation 4 TYR A 110
ILE A 176
ILE A 190
LEU A 186
 None
 0.74A 5vkqB-5lfdA:
undetectable
5vkqC-5lfdA:
undetectable		 5vkqB-5lfdA:
9.24
5vkqC-5lfdA:
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.
5lwe C-C CHEMOKINE
RECEPTOR TYPE 9

(Homo sapiens) 		PF00001
(7tm_1) 		4 ILE A 257
TYR A 234
ILE A 238
ILE A 242
 OLA  A 402 ( 4.5A)
OLA  A 404 (-3.8A)
None
None
 0.74A 5vkqB-5lweA:
2.2
5vkqC-5lweA:
2.1		 5vkqB-5lweA:
11.35
5vkqC-5lweA:
11.35
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.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Psychrobacter
arcticus) 		PF13393
(tRNA-synt_His) 		4 LYS A 230
ILE A 231
ILE A 235
LEU A 238
 None
 0.53A 5vkqB-5m8hA:
undetectable
5vkqC-5m8hA:
undetectable		 5vkqB-5m8hA:
13.26
5vkqC-5m8hA:
13.26
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 TYR A 462
ILE A 457
ILE A 697
LEU A 694
 None
 0.79A 5vkqB-5mfaA:
undetectable
5vkqC-5mfaA:
undetectable		 5vkqB-5mfaA:
17.93
5vkqC-5mfaA:
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.
5mg8 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
5

(Schizosaccharomyces
pombe) 		no annotation 4 TYR A 598
ILE A 568
ILE A 565
LEU A 549
 None
 0.78A 5vkqB-5mg8A:
undetectable
5vkqC-5mg8A:
undetectable		 5vkqB-5mg8A:
11.53
5vkqC-5mg8A:
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 4

(Schizosaccharomyces
pombe) 		PF10018
(Med4) 		4 ILE G  48
TYR G   3
ILE G   7
LEU G  37
 None
 0.76A 5vkqB-5n9jG:
3.4
5vkqC-5n9jG:
3.4		 5vkqB-5n9jG:
8.84
5vkqC-5n9jG:
8.84
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.
5nck N-ACETYLMANNOSAMINE
KINASE

(Fusobacterium
nucleatum) 		PF00480
(ROK) 		4 TYR A 204
ILE A 208
ILE A 212
LEU A 215
 None
 0.52A 5vkqB-5nckA:
undetectable
5vkqC-5nckA:
undetectable		 5vkqB-5nckA:
10.97
5vkqC-5nckA:
10.97
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 ILE A  65
TYR A 190
ILE A 200
LEU A 208
 None
 0.69A 5vkqB-5ng6A:
undetectable
5vkqC-5ng6A:
undetectable		 5vkqB-5ng6A:
21.99
5vkqC-5ng6A:
21.99
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.
5nsj PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Whitewater
Arroyo
mammarenavirus) 		no annotation 4 ILE A 177
ILE A 211
ILE A 104
LEU A  94
 None
 0.82A 5vkqB-5nsjA:
undetectable
5vkqC-5nsjA:
undetectable		 5vkqB-5nsjA:
6.87
5vkqC-5nsjA:
6.87
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 4 ILE A 166
ILE A 186
ILE A 188
LEU A 177
 None
 0.75A 5vkqB-5ovnA:
undetectable
5vkqC-5ovnA:
undetectable		 5vkqB-5ovnA:
undetectable
5vkqC-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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		4 LYS A   8
ILE A   9
ILE A  13
LEU A  16
 None
 0.55A 5vkqB-5tfqA:
undetectable
5vkqC-5tfqA:
undetectable		 5vkqB-5tfqA:
9.83
5vkqC-5tfqA:
9.83
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		4 ILE A 399
TYR A 424
ILE A 426
ILE A 428
 IOD  A 509 ( 4.9A)
None
None
None
 0.76A 5vkqB-5u22A:
undetectable
5vkqC-5u22A:
undetectable		 5vkqB-5u22A:
12.96
5vkqC-5u22A:
12.96
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.
5vdk WEE1-LIKE PROTEIN
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 417
ILE A 323
ILE A 319
LEU A 316
 None
 0.84A 5vkqB-5vdkA:
undetectable
5vkqC-5vdkA:
undetectable		 5vkqB-5vdkA:
10.89
5vkqC-5vdkA:
10.89
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.
5vkp POTASSIUM CHANNEL
SUBFAMILY K MEMBER 2

(Mus musculus) 		PF07885
(Ion_trans_2) 		4 LYS A 156
ILE A 157
ILE A 161
LEU A 164
 None
None
R16  A 407 ( 4.5A)
R16  A 407 (-4.8A)
 0.74A 5vkqB-5vkpA:
5.2
5vkqC-5vkpA:
5.2		 5vkqB-5vkpA:
10.58
5vkqC-5vkpA:
10.58
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 5vkqB-5vkqA:
48.6
5vkqC-5vkqA:
48.6		 5vkqB-5vkqA:
100.00
5vkqC-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.
5vrq ANKYRIN
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 4 ILE A 363
ILE A 297
ILE A 293
LEU A 290
 None
 0.74A 5vkqB-5vrqA:
14.1
5vkqC-5vrqA:
14.0		 5vkqB-5vrqA:
undetectable
5vkqC-5vrqA:
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.
5wc8 SIAD

(Mannheimia
haemolytica) 		no annotation 4 TYR M 176
ILE M 103
ILE M 107
LEU M 110
 None
 0.78A 5vkqB-5wc8M:
undetectable
5vkqC-5wc8M:
undetectable		 5vkqB-5wc8M:
12.13
5vkqC-5wc8M:
12.13
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.
5x1t PPKA-294

(Serratia sp.
FS14) 		no annotation 4 HIS A 157
ILE A 153
ILE A 171
ILE A 173
 None
 0.76A 5vkqB-5x1tA:
undetectable
5vkqC-5x1tA:
undetectable		 5vkqB-5x1tA:
undetectable
5vkqC-5x1tA:
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 ILE A 852
ILE A 784
ILE A 788
LEU A 791
 None
 0.82A 5vkqB-5xblA:
undetectable
5vkqC-5xblA:
undetectable		 5vkqB-5xblA:
21.62
5vkqC-5xblA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		4 ILE w 163
TYR w 307
ILE w  91
LEU w 114
 None
 0.83A 5vkqB-5xtdw:
undetectable
5vkqC-5xtdw:
undetectable		 5vkqB-5xtdw:
10.85
5vkqC-5xtdw:
10.85
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 4 ILE A 487
TYR A 784
ILE A 800
LEU A 799
 None
 0.82A 5vkqB-5xwyA:
undetectable
5vkqC-5xwyA:
undetectable		 5vkqB-5xwyA:
20.99
5vkqC-5xwyA:
20.99
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 TYR A 462
ILE A 457
ILE A 697
LEU A 694
 None
 0.78A 5vkqB-6azpA:
undetectable
5vkqC-6azpA:
undetectable		 5vkqB-6azpA:
undetectable
5vkqC-6azpA:
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.
6b85 TMHC4_R

(synthetic
construct) 		no annotation 4 LYS J   9
ILE J  10
ILE J  14
LEU J  17
 None
 0.64A 5vkqB-6b85J:
4.4
5vkqC-6b85J:
4.3		 5vkqB-6b85J:
undetectable
5vkqC-6b85J:
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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 4 LYS E 394
ILE E 395
ILE E 399
LEU E 402
 None
 0.76A 5vkqB-6c3pE:
undetectable
5vkqC-6c3pE:
undetectable		 5vkqB-6c3pE:
undetectable
5vkqC-6c3pE:
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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 4 TYR A 259
LYS A 262
ILE A 267
LEU A 270
 None
 0.82A 5vkqB-6c8zA:
undetectable
5vkqC-6c8zA:
undetectable		 5vkqB-6c8zA:
undetectable
5vkqC-6c8zA:
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 4 HIS A 647
LYS A 680
ILE A 679
ILE A 682
 None
 0.81A 5vkqB-6cgmA:
undetectable
5vkqC-6cgmA:
undetectable		 5vkqB-6cgmA:
undetectable
5vkqC-6cgmA:
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.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 4 LYS E 298
ILE E 299
ILE E 303
LEU E 306
 None
 0.70A 5vkqB-6d04E:
3.0
5vkqC-6d04E:
3.0		 5vkqB-6d04E:
undetectable
5vkqC-6d04E:
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.
6dhi -

(-) 		no annotation 4 ILE A 179
TYR A 162
ILE A 160
ILE A 200
 None
SNN  A 164 ( 4.6A)
None
None
 0.70A 5vkqB-6dhiA:
undetectable
5vkqC-6dhiA:
undetectable		 5vkqB-6dhiA:
undetectable
5vkqC-6dhiA:
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 4 LYS A  40
ILE A 710
ILE A  45
LEU A  48
 None
None
CLA  A1101 ( 4.3A)
CLA  A1101 ( 4.4A)
 0.79A 5vkqB-6fosA:
2.6
5vkqC-6fosA:
2.6		 5vkqB-6fosA:
undetectable
5vkqC-6fosA:
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.
6g1k TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY C
MEMBER 4A

(Danio rerio) 		no annotation 4 ILE A 406
TYR A 445
ILE A 449
ILE A 453
 None
 0.63A 5vkqB-6g1kA:
21.4
5vkqC-6g1kA:
21.4		 5vkqB-6g1kA:
undetectable
5vkqC-6g1kA:
undetectable