SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_D_PCFD1807

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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 PHE A  51
ILE A  92
ILE A 158
LEU A 157
 None
 1.07A 5vkqA-1f82A:
0.0
5vkqD-1f82A:
0.0		 5vkqA-1f82A:
12.88
5vkqD-1f82A:
12.88
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.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		4 ILE A 156
ILE A 386
LEU A 385
PHE A 186
 None
 1.03A 5vkqA-1g55A:
0.0
5vkqD-1g55A:
0.0		 5vkqA-1g55A:
12.21
5vkqD-1g55A:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ha5 STREPTOCOCCAL
PYOGENIC EXOTOXIN A1

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 PHE A1186
ILE A1078
ILE A1200
LEU A1198
 None
 0.85A 5vkqA-1ha5A:
0.0
5vkqD-1ha5A:
undetectable		 5vkqA-1ha5A:
8.49
5vkqD-1ha5A:
8.49
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		4 PHE A 456
ILE A 443
LEU A 411
PHE A 417
 None
 1.04A 5vkqA-1j2bA:
0.0
5vkqD-1j2bA:
0.1		 5vkqA-1j2bA:
15.89
5vkqD-1j2bA:
15.89
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 258
ILE A 240
ILE A 670
HIS A 246
 None
 1.06A 5vkqA-1ogyA:
0.0
5vkqD-1ogyA:
0.0		 5vkqA-1ogyA:
19.69
5vkqD-1ogyA:
19.69
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		4 PHE A 242
ILE A   6
LEU A  82
PHE A  80
 None
 1.06A 5vkqA-1qwrA:
0.0
5vkqD-1qwrA:
0.0		 5vkqA-1qwrA:
10.83
5vkqD-1qwrA:
10.83
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.
1rki HYPOTHETICAL PROTEIN

(Pyrobaculum
aerophilum) 		PF11424
(DUF3195) 		4 PHE A  60
ILE A   7
PHE A  93
HIS A   4
 None
 1.08A 5vkqA-1rkiA:
undetectable
5vkqD-1rkiA:
undetectable		 5vkqA-1rkiA:
4.41
5vkqD-1rkiA:
4.41
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.
1uh9 HIZOPUSPEPSIN I

(Rhizopus
microsporus) 		PF00026
(Asp) 		4 ILE A 264
ILE A 225
LEU A 226
PHE A 213
 None
 0.79A 5vkqA-1uh9A:
undetectable
5vkqD-1uh9A:
undetectable		 5vkqA-1uh9A:
12.14
5vkqD-1uh9A:
12.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 ILE A  12
ILE A 147
PHE A  93
HIS A  50
 None
 0.92A 5vkqA-1vmkA:
0.0
5vkqD-1vmkA:
0.0		 5vkqA-1vmkA:
9.70
5vkqD-1vmkA:
9.70
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.
2b7k SCO1 PROTEIN

(Saccharomyces
cerevisiae) 		PF02630
(SCO1-SenC) 		4 PHE A 143
ILE A 172
LEU A 159
HIS A 199
 None
 1.06A 5vkqA-2b7kA:
undetectable
5vkqD-2b7kA:
undetectable		 5vkqA-2b7kA:
7.75
5vkqD-2b7kA:
7.75
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN
ACETYLCHOLINE
RECEPTOR PROTEIN,
DELTA CHAIN

(Torpedo
marmorata;
Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 ILE C 460
ILE B 233
LEU C 310
HIS C 313
 None
 1.01A 5vkqA-2bg9C:
3.9
5vkqD-2bg9C:
3.8		 5vkqA-2bg9C:
11.88
5vkqD-2bg9C:
11.88
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.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		4 PHE A 188
ILE A  62
ILE A 104
PHE A  13
 None
 1.05A 5vkqA-2fywA:
undetectable
5vkqD-2fywA:
undetectable		 5vkqA-2fywA:
9.75
5vkqD-2fywA:
9.75
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 PHE A  51
ILE A  92
ILE A 158
LEU A 157
 None
 1.08A 5vkqA-2np0A:
1.5
5vkqD-2np0A:
1.6		 5vkqA-2np0A:
21.64
5vkqD-2np0A:
21.64
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 ILE A 302
ILE A  94
LEU A 267
PHE A 239
 None
 1.00A 5vkqA-2pb0A:
undetectable
5vkqD-2pb0A:
undetectable		 5vkqA-2pb0A:
14.50
5vkqD-2pb0A:
14.50
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.
2pww UNCHARACTERIZED
PROTEIN

(Bacillus
clausii) 		PF08868
(YugN) 		4 ILE A 113
ILE A  77
LEU A  53
PHE A  27
 None
 0.79A 5vkqA-2pwwA:
undetectable
5vkqD-2pwwA:
undetectable		 5vkqA-2pwwA:
5.08
5vkqD-2pwwA:
5.08
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.
2q8h [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		4 ILE A 397
ILE A 191
LEU A 194
PHE A  62
 None
TF4  A 438 (-3.4A)
None
None
 1.05A 5vkqA-2q8hA:
undetectable
5vkqD-2q8hA:
undetectable		 5vkqA-2q8hA:
12.68
5vkqD-2q8hA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		4 PHE A  62
ILE A 236
ILE A  49
LEU A 279
 None
 0.98A 5vkqA-2qcvA:
undetectable
5vkqD-2qcvA:
undetectable		 5vkqA-2qcvA:
12.35
5vkqD-2qcvA:
12.35
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 PHE A  20
ILE A 350
LEU A   7
PHE A   8
 None
 1.07A 5vkqA-2qghA:
undetectable
5vkqD-2qghA:
undetectable		 5vkqA-2qghA:
13.07
5vkqD-2qghA:
13.07
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		4 ILE A 641
ILE A 609
LEU A 605
HIS A 602
 None
 1.01A 5vkqA-2v26A:
undetectable
5vkqD-2v26A:
undetectable		 5vkqA-2v26A:
18.81
5vkqD-2v26A:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		4 PHE A 123
ILE A 314
ILE A 130
LEU A 131
 None
 0.92A 5vkqA-2ww9A:
undetectable
5vkqD-2ww9A:
undetectable		 5vkqA-2ww9A:
14.69
5vkqD-2ww9A:
14.69
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.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME

(Candida
albicans) 		PF09084
(NMT1) 		4 PHE A  35
ILE A  65
ILE A  56
LEU A  49
 None
 0.96A 5vkqA-2x7qA:
undetectable
5vkqD-2x7qA:
undetectable		 5vkqA-2x7qA:
10.78
5vkqD-2x7qA:
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.
2yzs PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aquifex
aeolicus) 		PF01867
(Cas_Cas1) 		4 PHE A  40
LEU A 255
PHE A 246
HIS A 245
 None
 1.06A 5vkqA-2yzsA:
undetectable
5vkqD-2yzsA:
undetectable		 5vkqA-2yzsA:
10.95
5vkqD-2yzsA:
10.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		4 PHE A 203
ILE A 124
ILE A 244
LEU A  94
 None
 0.84A 5vkqA-3b89A:
undetectable
5vkqD-3b89A:
undetectable		 5vkqA-3b89A:
10.12
5vkqD-3b89A:
10.12
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 4 ILE A 277
ILE A 372
LEU A 343
HIS A 342
 None
 0.85A 5vkqA-3c2gA:
3.2
5vkqD-3c2gA:
3.2		 5vkqA-3c2gA:
16.34
5vkqD-3c2gA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4c CASPASE-1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 ILE A 328
ILE A 243
LEU A 258
PHE A 262
 None
 0.91A 5vkqA-3e4cA:
undetectable
5vkqD-3e4cA:
undetectable		 5vkqA-3e4cA:
10.61
5vkqD-3e4cA:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eay SENTRIN-SPECIFIC
PROTEASE 7

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 PHE A 780
ILE A 949
ILE A 785
PHE A 937
 None
 0.92A 5vkqA-3eayA:
undetectable
5vkqD-3eayA:
undetectable		 5vkqA-3eayA:
11.19
5vkqD-3eayA:
11.19
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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ILE A 248
ILE A 215
LEU A 166
PHE A 239
 None
 0.92A 5vkqA-3fhtA:
undetectable
5vkqD-3fhtA:
undetectable		 5vkqA-3fhtA:
13.37
5vkqD-3fhtA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 PHE A 241
ILE A 358
ILE A 293
PHE A 389
 None
 0.93A 5vkqA-3hf8A:
undetectable
5vkqD-3hf8A:
undetectable		 5vkqA-3hf8A:
9.36
5vkqD-3hf8A:
9.36
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.
3imm PUTATIVE SECRETED
GLYCOSYLHYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		4 ILE A 155
ILE A  97
LEU A 188
PHE A 192
 None
 0.89A 5vkqA-3immA:
undetectable
5vkqD-3immA:
undetectable		 5vkqA-3immA:
8.40
5vkqD-3immA:
8.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 4 PHE B 353
ILE B 314
ILE B 206
PHE B 197
 None
 1.02A 5vkqA-3iz3B:
undetectable
5vkqD-3iz3B:
undetectable		 5vkqA-3iz3B:
21.93
5vkqD-3iz3B:
21.93
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.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		4 ILE A  92
LEU A 347
PHE A 346
HIS A 350
 None
 0.78A 5vkqA-3jxeA:
undetectable
5vkqD-3jxeA:
undetectable		 5vkqA-3jxeA:
12.18
5vkqD-3jxeA:
12.18
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.
3kyq SYNAPTOBREVIN
HOMOLOG YKT6

(Rattus
norvegicus) 		PF00957
(Synaptobrevin)
PF13774
(Longin) 		4 ILE A 152
LEU A  94
PHE A  91
HIS A  67
 None
 0.99A 5vkqA-3kyqA:
undetectable
5vkqD-3kyqA:
undetectable		 5vkqA-3kyqA:
7.64
5vkqD-3kyqA:
7.64
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.
3ml4 PROTEIN DOK-7

(Mus musculus) 		PF02174
(IRS) 		4 PHE A 194
ILE A 104
ILE A 199
HIS A 132
 None
 0.96A 5vkqA-3ml4A:
undetectable
5vkqD-3ml4A:
undetectable		 5vkqA-3ml4A:
8.10
5vkqD-3ml4A:
8.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		4 ILE A 216
ILE A 248
LEU A 127
PHE A 126
 None
 1.04A 5vkqA-3n4tA:
undetectable
5vkqD-3n4tA:
undetectable		 5vkqA-3n4tA:
10.33
5vkqD-3n4tA:
10.33
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.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 ILE A 474
ILE A 198
LEU A 339
HIS A 338
 None
 0.96A 5vkqA-3na0A:
undetectable
5vkqD-3na0A:
undetectable		 5vkqA-3na0A:
14.09
5vkqD-3na0A:
14.09
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 ILE A 209
ILE A 135
LEU A 136
PHE A 140
 None
 1.04A 5vkqA-3pihA:
undetectable
5vkqD-3pihA:
undetectable		 5vkqA-3pihA:
18.76
5vkqD-3pihA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		4 PHE A1177
ILE A1191
LEU A1274
HIS A1277
 None
 1.07A 5vkqA-3s51A:
3.2
5vkqD-3s51A:
3.2		 5vkqA-3s51A:
21.75
5vkqD-3s51A:
21.75
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.
3sd7 PUTATIVE PHOSPHATASE

(Clostridioides
difficile) 		PF13419
(HAD_2) 		4 ILE A 214
ILE A 104
LEU A 105
PHE A  10
 None
 0.82A 5vkqA-3sd7A:
undetectable
5vkqD-3sd7A:
undetectable		 5vkqA-3sd7A:
8.33
5vkqD-3sd7A:
8.33
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.
3sku GLYCOPROTEIN D

(Human
alphaherpesvirus
1) 		PF01537
(Herpes_glycop_D) 		4 ILE A 217
ILE A  97
LEU A 167
PHE A 100
 None
 1.07A 5vkqA-3skuA:
undetectable
5vkqD-3skuA:
undetectable		 5vkqA-3skuA:
9.62
5vkqD-3skuA:
9.62
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.
3sl2 SENSOR HISTIDINE
KINASE YYCG

(Bacillus
subtilis) 		PF02518
(HATPase_c) 		4 ILE A 570
ILE A 529
LEU A 598
HIS A 578
 None
 1.03A 5vkqA-3sl2A:
undetectable
5vkqD-3sl2A:
undetectable		 5vkqA-3sl2A:
7.01
5vkqD-3sl2A:
7.01
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 ILE A 541
ILE A  68
LEU A  69
HIS A  81
 None
 1.01A 5vkqA-3ujzA:
undetectable
5vkqD-3ujzA:
undetectable		 5vkqA-3ujzA:
18.80
5vkqD-3ujzA:
18.80
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		4 ILE A 124
ILE A 140
LEU A 155
PHE A 154
 None
 1.00A 5vkqA-3v6aA:
0.9
5vkqD-3v6aA:
1.4		 5vkqA-3v6aA:
15.47
5vkqD-3v6aA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 PHE A 646
ILE A 373
LEU A 372
PHE A 431
 None
 0.66A 5vkqA-3va6A:
undetectable
5vkqD-3va6A:
undetectable		 5vkqA-3va6A:
18.02
5vkqD-3va6A:
18.02
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		4 ILE A 217
ILE A 154
LEU A 238
HIS A 234
 None
None
HEM  A 501 (-4.1A)
None
 0.89A 5vkqA-3wvsA:
undetectable
5vkqD-3wvsA:
undetectable		 5vkqA-3wvsA:
12.85
5vkqD-3wvsA:
12.85
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 PHE A  52
ILE A  93
ILE A 159
LEU A 158
 None
 1.06A 5vkqA-3zuqA:
2.0
5vkqD-3zuqA:
1.9		 5vkqA-3zuqA:
19.01
5vkqD-3zuqA:
19.01
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.
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C

(Homo sapiens) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 PHE A 263
ILE A 212
LEU A 215
PHE A 193
 None
 1.05A 5vkqA-3zyjA:
undetectable
5vkqD-3zyjA:
undetectable		 5vkqA-3zyjA:
13.73
5vkqD-3zyjA:
13.73
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.
4b8c GLUCOSE-REPRESSIBLE
ALCOHOL
DEHYDROGENASE
TRANSCRIPTIONAL
EFFECTOR

(Saccharomyces
cerevisiae) 		PF03372
(Exo_endo_phos)
PF13855
(LRR_8) 		4 ILE D 353
LEU D 359
PHE D 358
HIS D 337
 None
 1.05A 5vkqA-4b8cD:
undetectable
5vkqD-4b8cD:
undetectable		 5vkqA-4b8cD:
18.40
5vkqD-4b8cD:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4boo ACETYLCHOLINE
RECEPTOR BETA
SUBUNIT
ACETYLCHOLINE
RECEPTOR DELTA
SUBUNIT

(Torpedo
marmorata;
Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 ILE C 460
ILE B 233
LEU C 310
HIS C 313
 None
 1.01A 5vkqA-4booC:
3.8
5vkqD-4booC:
3.8		 5vkqA-4booC:
15.07
5vkqD-4booC:
15.07
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.
4c1r MANNOSYL-6-PHOSPHATA
SE

(Bacteroides
thetaiotaomicron) 		PF03372
(Exo_endo_phos) 		4 ILE A  55
ILE A 250
PHE A  64
HIS A  62
 None
 1.07A 5vkqA-4c1rA:
undetectable
5vkqD-4c1rA:
undetectable		 5vkqA-4c1rA:
9.53
5vkqD-4c1rA:
9.53
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		4 ILE A 183
ILE A 131
LEU A 103
HIS A  46
 None
 1.00A 5vkqA-4ddqA:
4.0
5vkqD-4ddqA:
4.1		 5vkqA-4ddqA:
14.57
5vkqD-4ddqA:
14.57
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		4 ILE B  93
ILE B 146
LEU B 143
PHE B 111
 None
 1.05A 5vkqA-4dhiB:
2.3
5vkqD-4dhiB:
2.3		 5vkqA-4dhiB:
10.32
5vkqD-4dhiB:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 4 PHE A 335
ILE A 398
LEU A 175
HIS A 173
 None
 0.99A 5vkqA-4egvA:
undetectable
5vkqD-4egvA:
undetectable		 5vkqA-4egvA:
15.79
5vkqD-4egvA:
15.79
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.
4euo ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (POLYAMINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		4 ILE A 127
ILE A 165
LEU A 191
PHE A 145
 None
 1.04A 5vkqA-4euoA:
undetectable
5vkqD-4euoA:
undetectable		 5vkqA-4euoA:
10.91
5vkqD-4euoA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 ILE A 439
ILE A 426
LEU A 430
HIS A 434
 None
 1.00A 5vkqA-4gvlA:
undetectable
5vkqD-4gvlA:
undetectable		 5vkqA-4gvlA:
15.33
5vkqD-4gvlA:
15.33
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		4 ILE A 439
ILE A 426
LEU A 430
HIS A 434
 None
 0.99A 5vkqA-4gx0A:
8.2
5vkqD-4gx0A:
8.2		 5vkqA-4gx0A:
16.40
5vkqD-4gx0A:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4irt UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15892
(BNR_4) 		4 PHE A 400
ILE A 120
ILE A  93
HIS A 104
 None
 0.86A 5vkqA-4irtA:
undetectable
5vkqD-4irtA:
undetectable		 5vkqA-4irtA:
12.39
5vkqD-4irtA:
12.39
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.
4l8t UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF01843
(DIL) 		4 ILE A1392
ILE A1379
LEU A1382
PHE A1734
 None
 1.00A 5vkqA-4l8tA:
undetectable
5vkqD-4l8tA:
undetectable		 5vkqA-4l8tA:
14.70
5vkqD-4l8tA:
14.70
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.
4nhb TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
desulfuricans) 		PF03480
(DctP) 		4 PHE A 246
ILE A  45
PHE A 146
HIS A 238
 None
IOD  A 406 ( 4.7A)
None
G3P  A 414 (-3.9A)
 0.73A 5vkqA-4nhbA:
undetectable
5vkqD-4nhbA:
undetectable		 5vkqA-4nhbA:
11.72
5vkqD-4nhbA:
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.
4npa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		4 ILE A 255
ILE A 305
LEU A 301
PHE A 298
 None
 0.78A 5vkqA-4npaA:
undetectable
5vkqD-4npaA:
undetectable		 5vkqA-4npaA:
13.94
5vkqD-4npaA:
13.94
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.
4p05 ARYLSULFATE
SULFOTRANSFERASE
ASST

(Escherichia
coli) 		PF05935
(Arylsulfotrans)
PF17425
(Arylsulfotran_N) 		4 ILE A 547
ILE A 212
PHE A 516
HIS A 558
 None
 1.03A 5vkqA-4p05A:
undetectable
5vkqD-4p05A:
undetectable		 5vkqA-4p05A:
15.99
5vkqD-4p05A:
15.99
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.
4p05 ARYLSULFATE
SULFOTRANSFERASE
ASST

(Escherichia
coli) 		PF05935
(Arylsulfotrans)
PF17425
(Arylsulfotran_N) 		4 PHE A 195
ILE A 212
PHE A 516
HIS A 558
 None
 1.04A 5vkqA-4p05A:
undetectable
5vkqD-4p05A:
undetectable		 5vkqA-4p05A:
15.99
5vkqD-4p05A:
15.99
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.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ILE B1183
ILE B1131
LEU B1103
HIS B1046
 None
 1.04A 5vkqA-4plbB:
4.3
5vkqD-4plbB:
4.3		 5vkqA-4plbB:
17.69
5vkqD-4plbB:
17.69
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.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		4 ILE A 443
ILE A 382
LEU A 390
PHE A 458
 None
 0.86A 5vkqA-4r9vA:
undetectable
5vkqD-4r9vA:
undetectable		 5vkqA-4r9vA:
12.50
5vkqD-4r9vA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		4 PHE A 244
ILE A 207
LEU A 107
PHE A 137
 None
 0.90A 5vkqA-4rkcA:
undetectable
5vkqD-4rkcA:
undetectable		 5vkqA-4rkcA:
13.25
5vkqD-4rkcA:
13.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rle UNCHARACTERIZED
PROTEIN YAAQ

(Bacillus
subtilis) 		PF06153
(CdAMP_rec) 		4 ILE A  60
ILE A  51
PHE A  25
HIS A  23
 None
 0.96A 5vkqA-4rleA:
undetectable
5vkqD-4rleA:
undetectable		 5vkqA-4rleA:
5.73
5vkqD-4rleA:
5.73
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		4 PHE A 778
ILE A 608
ILE A 690
LEU A 699
 None
 0.90A 5vkqA-4rt6A:
undetectable
5vkqD-4rt6A:
undetectable		 5vkqA-4rt6A:
20.34
5vkqD-4rt6A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ILE A 359
LEU A 361
PHE A 324
HIS A 363
 None
 0.97A 5vkqA-4rvwA:
undetectable
5vkqD-4rvwA:
undetectable		 5vkqA-4rvwA:
17.88
5vkqD-4rvwA:
17.88
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.
4ryk LMO0325 PROTEIN

(Listeria
monocytogenes) 		PF01381
(HTH_3) 		4 PHE A 176
ILE A 118
ILE A 160
PHE A  80
 None
 0.65A 5vkqA-4rykA:
2.2
5vkqD-4rykA:
2.2		 5vkqA-4rykA:
10.76
5vkqD-4rykA:
10.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 218
ILE A 288
ILE A 175
HIS A 240
 None
 1.00A 5vkqA-4w6zA:
undetectable
5vkqD-4w6zA:
undetectable		 5vkqA-4w6zA:
11.74
5vkqD-4w6zA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 ILE A 366
ILE A 434
LEU A 418
PHE A 417
 None
 1.05A 5vkqA-4wcxA:
undetectable
5vkqD-4wcxA:
undetectable		 5vkqA-4wcxA:
13.86
5vkqD-4wcxA:
13.86
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 4 PHE E 156
ILE E 207
ILE E 213
HIS E 273
 None
 0.66A 5vkqA-4whbE:
undetectable
5vkqD-4whbE:
undetectable		 5vkqA-4whbE:
14.69
5vkqD-4whbE:
14.69
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.
4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE

(Homo sapiens) 		PF01467
(CTP_transf_like) 		4 PHE A 331
ILE A 286
LEU A 296
HIS A 299
 None
 1.05A 5vkqA-4xsvA:
undetectable
5vkqD-4xsvA:
undetectable		 5vkqA-4xsvA:
11.71
5vkqD-4xsvA:
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.
4xzb CELA

(Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		4 PHE A  49
ILE A 260
ILE A  32
LEU A 303
 None
 0.85A 5vkqA-4xzbA:
undetectable
5vkqD-4xzbA:
undetectable		 5vkqA-4xzbA:
9.70
5vkqD-4xzbA:
9.70
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(uncultured
bacterium;
Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		4 PHE A  49
ILE A 259
ILE A  32
LEU A 302
 None
 0.91A 5vkqA-4xzwA:
undetectable
5vkqD-4xzwA:
undetectable		 5vkqA-4xzwA:
10.73
5vkqD-4xzwA:
10.73
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.
4zpq MCG133388, ISOFORM
CRA_F

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ILE A 202
LEU A 167
PHE A 149
HIS A 148
 None
 0.90A 5vkqA-4zpqA:
undetectable
5vkqD-4zpqA:
undetectable		 5vkqA-4zpqA:
11.27
5vkqD-4zpqA:
11.27
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.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 PHE A  40
LEU A  29
PHE A  10
HIS A   7
 None
 1.08A 5vkqA-5a1kA:
undetectable
5vkqD-5a1kA:
undetectable		 5vkqA-5a1kA:
11.48
5vkqD-5a1kA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ayn SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER)

(Bdellovibrio
bacteriovorus) 		PF06963
(FPN1) 		4 ILE A 135
ILE A 161
LEU A 158
PHE A 359
 None
 1.08A 5vkqA-5aynA:
2.7
5vkqD-5aynA:
2.6		 5vkqA-5aynA:
14.13
5vkqD-5aynA:
14.13
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.
5b3h PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		4 PHE B 318
ILE B 385
LEU B 286
HIS B 257
 None
 1.04A 5vkqA-5b3hB:
undetectable
5vkqD-5b3hB:
undetectable		 5vkqA-5b3hB:
14.10
5vkqD-5b3hB:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 ILE A 183
ILE A 131
LEU A 103
HIS A  46
 ILE  A 183 ( 0.6A)
ILE  A 131 ( 0.7A)
LEU  A 103 ( 0.6A)
HIS  A  46 ( 1.0A)
 0.99A 5vkqA-5cdnA:
3.2
5vkqD-5cdnA:
3.2		 5vkqA-5cdnA:
14.36
5vkqD-5cdnA:
14.36
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.
5i4a ARGONAUTE PROTEIN

(Marinitoga
piezophila) 		no annotation 4 PHE A 243
ILE A 137
ILE A  92
LEU A  88
 None
 0.97A 5vkqA-5i4aA:
undetectable
5vkqD-5i4aA:
undetectable		 5vkqA-5i4aA:
15.92
5vkqD-5i4aA:
15.92
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.
5jgc PROTEIN TPR1

(Oryza sativa) 		no annotation 4 ILE A  72
ILE A  96
LEU A 101
PHE A 104
 None
 1.02A 5vkqA-5jgcA:
2.4
5vkqD-5jgcA:
2.5		 5vkqA-5jgcA:
8.14
5vkqD-5jgcA:
8.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 ILE A 259
ILE A 178
LEU A 185
PHE A 184
 None
 0.98A 5vkqA-5kc8A:
undetectable
5vkqD-5kc8A:
undetectable		 5vkqA-5kc8A:
12.35
5vkqD-5kc8A:
12.35
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		4 ILE A 745
ILE A 664
LEU A 671
PHE A 670
 None
 0.98A 5vkqA-5kcaA:
undetectable
5vkqD-5kcaA:
undetectable		 5vkqA-5kcaA:
19.13
5vkqD-5kcaA:
19.13
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.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 PHE A 241
ILE A 358
ILE A 293
PHE A 389
 6Z4  A 502 ( 4.8A)
None
None
None
 0.93A 5vkqA-5l01A:
undetectable
5vkqD-5l01A:
undetectable		 5vkqA-5l01A:
13.23
5vkqD-5l01A:
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.
5nqs PROTEIN TOPLESS

(Arabidopsis
thaliana) 		no annotation 4 ILE A  72
ILE A  96
LEU A 101
PHE A 104
 None
 0.93A 5vkqA-5nqsA:
2.7
5vkqD-5nqsA:
2.7		 5vkqA-5nqsA:
8.00
5vkqD-5nqsA:
8.00
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ILE A 234
ILE A 210
LEU A 203
PHE A 201
 None
 0.93A 5vkqA-5nz7A:
undetectable
5vkqD-5nz7A:
undetectable		 5vkqA-5nz7A:
20.51
5vkqD-5nz7A:
20.51
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 317
ILE B 252
ILE B 609
LEU B 613
 None
 1.02A 5vkqA-5swiB:
undetectable
5vkqD-5swiB:
2.6		 5vkqA-5swiB:
18.50
5vkqD-5swiB:
18.50
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.
5tfy FLAGELLIN

(Methanospirillum
hungatei) 		no annotation 4 ILE I 122
ILE I 131
LEU I 154
PHE I 136
 None
 1.02A 5vkqA-5tfyI:
undetectable
5vkqD-5tfyI:
undetectable		 5vkqA-5tfyI:
6.85
5vkqD-5tfyI:
6.85
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.
5u56 MACROPHAGE GROWTH
LOCUS A

(Francisella
tularensis) 		PF13417
(GST_N_3) 		4 ILE A  14
ILE A 187
LEU A 191
PHE A 196
 None
 1.05A 5vkqA-5u56A:
2.2
5vkqD-5u56A:
undetectable		 5vkqA-5u56A:
8.28
5vkqD-5u56A:
8.28
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.
5v4a GLYCOSYLTRANSFERASE
(DUF1792)

(Streptococcus
sanguinis) 		PF08759
(GT-D) 		4 ILE A 119
ILE A 221
LEU A 134
PHE A 131
 None
 1.04A 5vkqA-5v4aA:
undetectable
5vkqD-5v4aA:
undetectable		 5vkqA-5v4aA:
9.48
5vkqD-5v4aA:
9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8d BACILLUS CEREUS
PATB1

(Bacillus cereus) 		no annotation 4 PHE C 137
ILE C 295
LEU C 346
HIS C 345
 None
 0.88A 5vkqA-5v8dC:
undetectable
5vkqD-5v8dC:
undetectable		 5vkqA-5v8dC:
11.70
5vkqD-5v8dC:
11.70
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.
5v8e BACILLUS CEREUS
PATB1

(Bacillus cereus) 		no annotation 4 PHE A 137
ILE A 295
LEU A 346
HIS A 345
 None
 0.86A 5vkqA-5v8eA:
undetectable
5vkqD-5v8eA:
undetectable		 5vkqA-5v8eA:
11.09
5vkqD-5v8eA:
11.09
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.
5vew GLUCAGON-LIKE
PEPTIDE 1
RECEPTOR,ENDOLYSIN
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		4 ILE A 400
LEU A 183
PHE A 184
HIS A 180
 None
 1.02A 5vkqA-5vewA:
3.9
5vkqD-5vewA:
3.9		 5vkqA-5vewA:
15.13
5vkqD-5vewA:
15.13
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) 		5 ILE A1271
ILE A1416
LEU A1420
PHE A1422
HIS A1423
 PCF  A1801 ( 4.6A)
PCF  A1801 ( 4.8A)
PCF  A1801 (-4.7A)
PCF  A1801 (-3.8A)
PCF  A1801 (-2.7A)
 0.00A 5vkqA-5vkqA:
51.0
5vkqD-5vkqA:
48.5		 5vkqA-5vkqA:
100.00
5vkqD-5vkqA:
100.00
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) 		4 ILE A1301
ILE A1416
LEU A1420
HIS A1423
 None
PCF  A1801 ( 4.8A)
PCF  A1801 (-4.7A)
PCF  A1801 (-2.7A)
 0.82A 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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 4 PHE A 492
ILE A 427
LEU A 379
PHE A 376
 None
 0.96A 5vkqA-5y3jA:
undetectable
5vkqD-5y3jA:
undetectable		 5vkqA-5y3jA:
undetectable
5vkqD-5y3jA:
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.
6blg DTDP-4-AMINO-4,6-DID
EOXYGALACTOSE
TRANSAMINASE

(Klebsiella
pneumoniae) 		no annotation 4 PHE A 177
ILE A 123
LEU A  59
PHE A  88
 None
 1.06A 5vkqA-6blgA:
undetectable
5vkqD-6blgA:
undetectable		 5vkqA-6blgA:
13.43
5vkqD-6blgA:
13.43
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 PHE A 452
ILE A  68
LEU A 206
PHE A 166
 None
 1.05A 5vkqA-6c4gA:
undetectable
5vkqD-6c4gA:
undetectable		 5vkqA-6c4gA:
undetectable
5vkqD-6c4gA:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 PHE A 376
ILE A  45
ILE A 308
HIS A 296
 None
 0.87A 5vkqA-6cboA:
undetectable
5vkqD-6cboA:
undetectable		 5vkqA-6cboA:
undetectable
5vkqD-6cboA:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 4 ILE A 379
ILE A 415
LEU A 430
HIS A 426
 None
 0.73A 5vkqA-6fa5A:
2.3
5vkqD-6fa5A:
2.3		 5vkqA-6fa5A:
undetectable
5vkqD-6fa5A:
undetectable