SIMILAR PATTERNS OF AMINO ACIDS FOR 5E72_A_SAMA400

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.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		5 ILE A 182
ILE A 225
THR A 193
ASP A 194
LEU A 241
 None
None
CA  A 353 (-4.9A)
None
None
 1.05A 5e72A-1axnA:
undetectable		 5e72A-1axnA:
21.41
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		6 ILE A 352
PHE A 536
GLY A 316
ILE A 339
THR A 340
ASP A 530
 None
 1.38A 5e72A-1c30A:
4.5		 5e72A-1c30A:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cfr RESTRICTION
ENDONUCLEASE

(Citrobacter
freundii) 		PF07832
(Bse634I) 		5 GLY A  75
ILE A  74
ILE A 183
ASP A 134
PRO A 133
 None
 0.99A 5e72A-1cfrA:
undetectable		 5e72A-1cfrA:
21.10
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.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		5 ILE A 411
GLY A 415
ILE A 416
ILE A 437
MET A 441
 None
 0.94A 5e72A-1fvfA:
3.1		 5e72A-1fvfA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1knx PROBABLE HPR(SER)
KINASE/PHOSPHATASE

(Mycoplasma
pneumoniae) 		PF02603
(Hpr_kinase_N)
PF07475
(Hpr_kinase_C) 		5 ILE A  30
GLY A  34
ILE A 110
PRO A  84
LEU A  80
 None
 1.06A 5e72A-1knxA:
undetectable		 5e72A-1knxA:
23.72
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.
1m5s FORMYLMETHANOFURAN--
TETRAHYDROMETHANOPTE
RIN
FORMYLTRANSFERASE

(Methanosarcina
barkeri) 		PF01913
(FTR)
PF02741
(FTR_C) 		5 GLY A 251
ILE A 194
ILE A 265
ALA A 183
THR A 195
 None
 1.07A 5e72A-1m5sA:
3.0		 5e72A-1m5sA:
24.72
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.
1p91 RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ILE A 122
PHE A 113
GLY A  93
ILE A  92
ALA A  88
 None
 1.00A 5e72A-1p91A:
11.9		 5e72A-1p91A:
22.41
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		5 ILE A 423
PHE A 328
GLY A 337
ILE A 292
ALA A 263
 None
 0.98A 5e72A-1q47A:
undetectable		 5e72A-1q47A:
20.92
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.
1vqz LIPOATE-PROTEIN
LIGASE, PUTATIVE

(Streptococcus
pneumoniae) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 ILE A  69
GLY A  71
ARG A 142
MET A 144
ASP A 284
 None
None
None
None
EDO  A 417 (-3.0A)
 1.00A 5e72A-1vqzA:
undetectable		 5e72A-1vqzA:
20.53
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.
1w0m TRIOSEPHOSPHATE
ISOMERASE

(Thermoproteus
tenax) 		PF00121
(TIM)
PF05690
(ThiG) 		5 ILE A 182
GLY A 198
ILE A   5
ALA A  28
LEU A  24
 None
 1.00A 5e72A-1w0mA:
undetectable		 5e72A-1w0mA:
21.10
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.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 PHE A 217
GLY A 222
ALA A 266
ASP A 286
PRO A 288
 None
 0.69A 5e72A-1wxxA:
17.4		 5e72A-1wxxA:
27.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xi9 PUTATIVE
TRANSAMINASE

(Pyrococcus
furiosus) 		PF00155
(Aminotran_1_2) 		5 GLY A  29
ILE A  30
ILE A 380
ALA A 384
LEU A  35
 None
 1.03A 5e72A-1xi9A:
2.4		 5e72A-1xi9A:
25.24
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 ILE A  15
GLY A 131
ILE A 136
ILE A 216
LEU A  33
 None
 0.96A 5e72A-2acvA:
3.7		 5e72A-2acvA:
20.88
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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		5 PHE A 225
GLY A 230
ALA A 276
ASP A 296
PRO A 298
 None
 0.76A 5e72A-2as0A:
5.3		 5e72A-2as0A:
25.12
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		5 ILE A  74
ILE A 107
ARG A 103
ALA A 165
ASP A  73
 None
 1.07A 5e72A-2euhA:
4.0		 5e72A-2euhA:
22.96
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.
2fin RABBITPOX ENCODED CC
CHEMOKINE INHIBITOR

(Vaccinia virus) 		PF02250
(Orthopox_35kD) 		5 ILE A 184
GLY A 181
ILE A 180
ARG A  89
ALA A 114
 None
 0.97A 5e72A-2finA:
undetectable		 5e72A-2finA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 ILE A 296
PHE A 181
ILE A 309
ALA A 177
ASP A 183
 None
 0.97A 5e72A-2gjnA:
undetectable		 5e72A-2gjnA:
23.86
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.
2hig 6-PHOSPHO-1-FRUCTOKI
NASE

(Trypanosoma
brucei) 		PF00365
(PFK) 		5 PHE A 194
GLY A 204
ILE A 208
ILE A 415
ALA A 406
 None
 1.06A 5e72A-2higA:
undetectable		 5e72A-2higA:
21.50
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		5 PHE A 317
GLY A 320
ILE A 319
ALA A 293
LEU A 300
 None
 0.92A 5e72A-2i7xA:
undetectable		 5e72A-2i7xA:
18.55
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		5 PHE A 317
ILE A 323
ALA A 293
PRO A 316
LEU A 300
 None
 1.06A 5e72A-2i7xA:
undetectable		 5e72A-2i7xA:
18.55
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		6 PHE A  68
GLY A  64
ILE A  82
THR A  79
PRO A  97
LEU A 128
 None
 1.41A 5e72A-2p50A:
undetectable		 5e72A-2p50A:
25.42
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.
2pz9 PUTATIVE REGULATORY
PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 105
ILE A 106
ILE A 121
THR A  93
LEU A 139
 None
 0.91A 5e72A-2pz9A:
undetectable		 5e72A-2pz9A:
24.00
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 ILE A 182
ILE A 157
ILE A 106
ARG A 143
LEU A 118
 None
None
None
144  A 194 (-4.8A)
None
 1.05A 5e72A-2rfmA:
undetectable		 5e72A-2rfmA:
20.94
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.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 ILE B 249
PHE B 218
ILE B 201
ILE B 216
THR B 115
 None
 1.07A 5e72A-2yntB:
undetectable		 5e72A-2yntB:
19.43
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.
2ytw SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  21
GLY A  64
ILE A 109
ILE A  53
ARG A  24
 None
 1.02A 5e72A-2ytwA:
undetectable		 5e72A-2ytwA:
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.
3bwx ALPHA/BETA HYDROLASE

(Novosphingobium
aromaticivorans) 		PF12697
(Abhydrolase_6) 		5 PHE A 195
GLY A  64
ILE A 201
ILE A 193
LEU A 161
 None
 0.98A 5e72A-3bwxA:
2.6		 5e72A-3bwxA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 ILE A 163
GLY A  93
ILE A 115
ILE A  15
LEU A  99
 None
GOL  A 288 ( 4.0A)
None
None
None
 0.90A 5e72A-3c24A:
5.2		 5e72A-3c24A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3p PROTEIN KINASE,
PUTATIVE GLYCOGEN
SYNTHASE KINASE

(Leishmania
major) 		PF00069
(Pkinase) 		5 ILE A 134
PHE A 129
GLY A 214
ILE A 216
ILE A 124
 None
 1.03A 5e72A-3e3pA:
undetectable		 5e72A-3e3pA:
21.91
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.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 ILE A 217
PHE A  65
GLY A  94
ALA A 113
LEU A  53
 None
 1.04A 5e72A-3efbA:
undetectable		 5e72A-3efbA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f59 ANKYRIN-1

(Homo sapiens) 		PF00791
(ZU5) 		5 ILE A 976
GLY A 979
ILE A 949
ILE A1055
LEU A1040
 None
None
None
BR  A   3 (-4.9A)
None
 1.02A 5e72A-3f59A:
undetectable		 5e72A-3f59A:
17.60
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.
3f6c POSITIVE
TRANSCRIPTION
REGULATOR EVGA

(Escherichia
coli) 		PF00072
(Response_reg) 		6 GLY A  60
ILE A  55
ILE A  75
ALA A   3
ASP A   7
LEU A  20
 None
 1.50A 5e72A-3f6cA:
undetectable		 5e72A-3f6cA:
18.24
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.
3g23 LD-CARBOXYPEPTIDASE
A

(Novosphingobium
aromaticivorans) 		PF02016
(Peptidase_S66) 		5 PHE A 166
GLY A 260
ILE A 259
ALA A 111
LEU A 180
 None
 1.03A 5e72A-3g23A:
undetectable		 5e72A-3g23A:
25.07
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ILE A 392
PHE A 248
MET A 378
ALA A 278
LEU A 313
 ILE  A 392 ( 0.7A)
PHE  A 248 ( 1.3A)
MET  A 378 ( 0.0A)
ALA  A 278 ( 0.0A)
LEU  A 313 ( 0.5A)
 1.07A 5e72A-3gnrA:
undetectable		 5e72A-3gnrA:
21.27
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.
3hd8 XYLANASE INHIBITOR

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 PHE A 180
GLY A   2
ALA A 178
PRO A 153
LEU A 145
 None
 0.95A 5e72A-3hd8A:
undetectable		 5e72A-3hd8A:
23.73
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.
3hlz UNCHARACTERIZED
PROTEIN BT_1490

(Bacteroides
thetaiotaomicron) 		PF12712
(DUF3805)
PF12713
(DUF3806) 		5 ILE A  74
PHE A 107
ILE A  59
ILE A  45
ALA A  47
 None
 1.01A 5e72A-3hlzA:
undetectable		 5e72A-3hlzA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 ILE W 695
GLY W 709
ILE W 710
ARG W 478
THR W 798
 None
 1.04A 5e72A-3iylW:
10.4		 5e72A-3iylW:
13.99
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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		5 GLY 1 590
ILE 1 606
ILE 1 526
ARG 1 595
ALA 1 536
 None
 1.02A 5e72A-3izq1:
3.1		 5e72A-3izq1:
19.93
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 GLY B 424
ALA B 433
THR B 389
ASP B 388
LEU B  20
 None
 1.03A 5e72A-3k70B:
2.7		 5e72A-3k70B:
15.25
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ILE A 206
ILE A 262
ALA A 290
THR A 304
PRO A 307
LEU A 321
 None
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
None
GTP  A 383 (-3.7A)
None
 0.52A 5e72A-3lduA:
13.9		 5e72A-3lduA:
26.79
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.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 ILE A 117
GLY A  70
ILE A 242
ALA A 268
ASP A  65
 None
None
TRP  A   1 (-4.3A)
TRP  A   1 ( 3.9A)
None
 1.07A 5e72A-3lftA:
undetectable		 5e72A-3lftA:
21.92
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.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		5 ILE A 286
PHE A 281
GLY A  14
ILE A  12
ILE A 277
 None
None
FAD  A1000 (-3.1A)
None
None
 1.06A 5e72A-3lzxA:
3.4		 5e72A-3lzxA:
23.97
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 ILE A 207
PHE A 144
GLY A 147
ILE A 146
LEU A 278
 None
 0.90A 5e72A-3mdqA:
undetectable		 5e72A-3mdqA:
21.35
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.
3nkl UDP-D-QUINOVOSAMINE
4-DEHYDROGENASE

(Aliivibrio
fischeri) 		PF02629
(CoA_binding) 		5 GLY A  45
ILE A  46
ILE A 108
ALA A  69
LEU A 111
 None
 1.05A 5e72A-3nklA:
undetectable		 5e72A-3nklA:
19.57
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.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4

(Saccharomyces
cerevisiae) 		PF11701
(UNC45-central) 		5 ILE A 476
GLY A 493
ILE A 525
ARG A 522
LEU A 545
 None
 0.99A 5e72A-3opbA:
undetectable		 5e72A-3opbA:
17.28
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A   7
PHE A  32
GLY A 118
ALA A 129
ASP A  24
 None
 1.06A 5e72A-3otrA:
undetectable		 5e72A-3otrA:
23.46
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.
3p27 ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 GLY A 590
ILE A 606
ILE A 526
ARG A 595
ALA A 536
 None
 0.93A 5e72A-3p27A:
undetectable		 5e72A-3p27A:
21.71
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.
3phf ENVELOPE
GLYCOPROTEIN H

(Human
gammaherpesvirus
4) 		no annotation 5 ILE A 112
GLY A 114
ARG A 350
MET A 354
LEU A 126
 None
 0.88A 5e72A-3phfA:
undetectable		 5e72A-3phfA:
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.
3rpl D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF03320
(FBPase_glpX) 		5 ILE A 186
GLY A 219
ILE A 157
ALA A 141
LEU A 162
 None
 1.06A 5e72A-3rplA:
undetectable		 5e72A-3rplA:
21.39
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ILE A 464
GLY A 304
ILE A 301
ILE A 506
PRO A 298
 None
None
None
None
EDO  A 912 ( 4.8A)
 1.04A 5e72A-3s1sA:
13.0		 5e72A-3s1sA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s30 HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13201
(PCMD) 		6 ILE A 335
PHE A 326
GLY A 332
ALA A 278
PRO A 246
LEU A 375
 None
 1.06A 5e72A-3s30A:
undetectable		 5e72A-3s30A:
22.25
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.
3sku GLYCOPROTEIN D

(Human
alphaherpesvirus
1) 		PF01537
(Herpes_glycop_D) 		5 PHE A 100
GLY A 162
ALA A  98
PRO A 109
LEU A  44
 None
 1.06A 5e72A-3skuA:
undetectable		 5e72A-3skuA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 PHE A 192
GLY A 196
ILE A 198
ALA A 244
PRO A 262
LEU A 276
 None
 1.13A 5e72A-3tmaA:
22.2		 5e72A-3tmaA:
29.14
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.
3v3t CELL DIVISION GTPASE
FTSZ, DIVERGED

(Clostridium
botulinum) 		PF00091
(Tubulin) 		5 ILE A   5
GLY A  26
ILE A 213
MET A 185
LEU A 162
 None
 0.97A 5e72A-3v3tA:
4.2		 5e72A-3v3tA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		6 ILE A 251
PHE A 205
GLY A 215
ILE A 212
ILE A 193
ALA A 196
 None
 1.25A 5e72A-3wqoA:
undetectable		 5e72A-3wqoA:
22.14
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.
4az1 TYROSINE SPECIFIC
PROTEIN PHOSPHATASE

(Trypanosoma
cruzi) 		PF00102
(Y_phosphatase) 		5 GLY A 198
ILE A 199
ILE A 237
ALA A 239
LEU A 210
 None
EDO  A1301 ( 4.5A)
None
None
None
 0.97A 5e72A-4az1A:
undetectable		 5e72A-4az1A:
23.16
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.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		5 GLY A 377
ILE A 346
ARG A 547
ALA A 335
PRO A 343
 None
 1.07A 5e72A-4dxbA:
undetectable		 5e72A-4dxbA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4het HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 PHE A 322
GLY A 327
ALA A 275
PRO A 242
LEU A 370
 None
 1.03A 5e72A-4hetA:
undetectable		 5e72A-4hetA:
19.90
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.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		5 ILE A 279
GLY A 255
THR A 250
ASP A 253
LEU A 477
 None
 1.04A 5e72A-4ihqA:
3.7		 5e72A-4ihqA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isa UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Escherichia
coli) 		PF03331
(LpxC) 		5 ILE A 216
ILE A 103
ILE A 186
ARG A 237
ALA A  82
 None
 0.95A 5e72A-4isaA:
undetectable		 5e72A-4isaA:
22.16
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 PHE A 189
GLY A 341
ILE A 195
ALA A 187
ASP A 337
 None
 0.98A 5e72A-4j9vA:
9.2		 5e72A-4j9vA:
25.62
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.
4kdy MALEYLACETOACETATE
ISOMERASE

(Anaeromyxobacter
dehalogenans) 		PF02798
(GST_N) 		5 PHE A 155
GLY A 151
ALA A 194
PRO A 161
LEU A 198
 None
 1.07A 5e72A-4kdyA:
undetectable		 5e72A-4kdyA:
22.79
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.
4kw3 NS1

(Human bocavirus) 		no annotation 5 PHE A  22
GLY A 110
ILE A 141
PRO A  23
LEU A 169
 None
 0.96A 5e72A-4kw3A:
undetectable		 5e72A-4kw3A:
22.25
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 ILE A  33
GLY A  65
ILE A  83
MET A  87
LEU A 130
 SAM  A 301 (-4.3A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.0A)
None
 0.98A 5e72A-4mwzA:
14.7		 5e72A-4mwzA:
24.86
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 ILE A 295
PHE A 269
ILE A 241
ILE A 313
ALA A 169
 None
 0.97A 5e72A-4n78A:
undetectable		 5e72A-4n78A:
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		5 ILE A 222
GLY A 244
ILE A  50
ALA A  52
THR A  96
 None
 1.00A 5e72A-4oanA:
undetectable		 5e72A-4oanA:
25.00
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.
4p6y AMINOPEPTIDASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ILE A  61
GLY A 172
ILE A 219
ILE A  33
ASP A  58
 None
 1.03A 5e72A-4p6yA:
undetectable		 5e72A-4p6yA:
24.94
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.
4qiw DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
E'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT K

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N)
PF01192
(RNA_pol_Rpb6) 		5 ILE E  59
PHE E  18
ILE E  13
ILE K  20
LEU K  27
 None
 1.06A 5e72A-4qiwE:
undetectable		 5e72A-4qiwE:
20.81
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.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 5 ILE A  87
GLY A  97
ILE A 201
ALA A 161
PRO A 108
 None
 0.85A 5e72A-4r29A:
undetectable		 5e72A-4r29A:
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.
4rgj CALCIUM-DEPENDENT
PROTEIN KINASE 4

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 ILE A 211
GLY A 180
ILE A 181
ARG A 172
LEU A 264
 None
 0.85A 5e72A-4rgjA:
undetectable		 5e72A-4rgjA:
20.90
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.
4s1n PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00551
(Formyl_trans_N) 		5 ILE A  18
PHE A   7
GLY A  12
ILE A  98
LEU A  69
 None
None
CL  A 202 (-3.7A)
None
None
 0.91A 5e72A-4s1nA:
undetectable		 5e72A-4s1nA:
20.41
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.
4uon CAPSID PROTEASE

(Aura virus) 		PF00944
(Peptidase_S3) 		5 ILE A 128
PHE A 119
GLY A 147
ALA A 134
ASP A 150
 None
 1.04A 5e72A-4uonA:
undetectable		 5e72A-4uonA:
17.92
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.
4woj ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Francisella
tularensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A  30
PHE A  93
GLY A   5
ILE A 361
ASP A  67
 None
 0.96A 5e72A-4wojA:
3.0		 5e72A-4wojA:
21.57
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.
4zbg ACETYLTRANSFERASE

(Brucella
abortus) 		PF13527
(Acetyltransf_9) 		5 ILE A   3
GLY A  94
ILE A  97
ILE A  14
LEU A  45
 None
ACO  A 201 (-3.6A)
None
None
None
 1.04A 5e72A-4zbgA:
undetectable		 5e72A-4zbgA:
20.81
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.
4zu9 ELONGATION FACTOR
SELB

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF09107
(SelB-wing_3) 		5 PHE A   6
GLY A  75
ILE A  76
ARG A  56
LEU A 168
 None
 1.04A 5e72A-4zu9A:
2.3		 5e72A-4zu9A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zu9 ELONGATION FACTOR
SELB

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF09107
(SelB-wing_3) 		5 PHE A   6
GLY A  75
ILE A  76
ILE A  48
LEU A 168
 None
 0.96A 5e72A-4zu9A:
2.3		 5e72A-4zu9A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLY A 259
ILE A 258
ILE A 168
ALA A 270
LEU A 284
 None
 0.98A 5e72A-5a3yA:
undetectable		 5e72A-5a3yA:
20.33
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT
NA+,K+-ATPASE BETA
SUBUNIT

(Squalus
acanthias;
Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase)
PF00287
(Na_K-ATPase) 		5 GLY A 796
ILE A 884
ILE A 872
ALA A 874
LEU B  58
 None
 0.97A 5e72A-5aw4A:
3.1		 5e72A-5aw4A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by2 PHOSPHOHEPTOSE
ISOMERASE

(Colwellia
psychrerythraea) 		PF13580
(SIS_2) 		5 ILE A 171
GLY A 147
ILE A 150
ILE A  27
ALA A  30
 None
 1.03A 5e72A-5by2A:
2.6		 5e72A-5by2A:
22.16
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.
5d39 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 6

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		5 ILE A 568
PHE A 514
GLY A 511
ILE A 506
LEU A 455
 None
 1.03A 5e72A-5d39A:
undetectable		 5e72A-5d39A:
22.00
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.
5d4w PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ILE A 702
PHE A 650
ILE A 614
ILE A 599
ALA A 595
 None
 1.05A 5e72A-5d4wA:
undetectable		 5e72A-5d4wA:
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.
5dq6 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 3

(Mus musculus) 		PF02338
(OTU) 		5 ILE A  37
ILE A  29
ILE A 207
ALA A 108
LEU A 104
 None
 0.91A 5e72A-5dq6A:
undetectable		 5e72A-5dq6A:
22.51
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.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		5 ILE A 182
GLY A 438
ILE A 245
THR A 300
LEU A 198
 None
HEM  A 501 (-3.8A)
None
None
None
 1.03A 5e72A-5e0eA:
undetectable		 5e72A-5e0eA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		12 ILE A 163
PHE A 187
GLY A 192
ILE A 193
ILE A 209
ARG A 210
MET A 213
ALA A 236
THR A 253
ASP A 254
PRO A 256
LEU A 271
 SAM  A 400 ( 4.1A)
SAM  A 400 (-4.7A)
SAM  A 400 (-3.7A)
SAM  A 400 (-3.9A)
SAM  A 400 (-3.9A)
None
SAM  A 400 (-4.3A)
SAM  A 400 (-3.5A)
SAM  A 400 (-4.5A)
None
SAM  A 400 (-4.2A)
None
 0.00A 5e72A-5e72A:
54.0		 5e72A-5e72A:
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLY A 259
ILE A 258
ILE A 168
ALA A 270
LEU A 284
 None
 0.98A 5e72A-5fxnA:
undetectable		 5e72A-5fxnA:
20.90
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.
5gi4 ATP-DEPENDENT RNA
HELICASE DEAD

(Escherichia
coli) 		PF00271
(Helicase_C) 		5 ILE A 314
GLY A 334
ILE A 333
ILE A 300
LEU A 236
 None
 0.91A 5e72A-5gi4A:
4.2		 5e72A-5gi4A:
23.51
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 PHE A 195
ALA A   9
THR A  28
ASP A  29
PRO A  31
 SAM  A 301 (-4.6A)
SAM  A 301 (-3.2A)
None
SAM  A 301 (-3.2A)
SAM  A 301 ( 4.0A)
 0.78A 5e72A-5hfjA:
5.5		 5e72A-5hfjA:
22.91
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 PHE A 195
GLY A 199
THR A  28
ASP A  29
PRO A  31
 SAM  A 301 (-4.6A)
None
None
SAM  A 301 (-3.2A)
SAM  A 301 ( 4.0A)
 0.90A 5e72A-5hfjA:
5.5		 5e72A-5hfjA:
22.91
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.
5m1m MATRIX PROTEIN 1

(Influenza C
virus) 		PF03026
(CM1) 		5 ILE A 144
ILE A   7
ILE A  69
ARG A  63
ALA A  39
 None
 1.05A 5e72A-5m1mA:
undetectable		 5e72A-5m1mA:
19.00
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.
5u2i NUCLEOSIDE
DIPHOSPHATE KINASE

(Naegleria
fowleri) 		PF00334
(NDK) 		5 GLY A  21
ILE A  23
ILE A  40
PRO A  12
LEU A  67
 None
 0.96A 5e72A-5u2iA:
undetectable		 5e72A-5u2iA:
20.45
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.
5va3 POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 2

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		5 PHE A 125
ILE A  30
ILE A 123
ALA A  34
PRO A 114
 None
 1.06A 5e72A-5va3A:
undetectable		 5e72A-5va3A:
18.97
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.
5wos CNPV058 BCL-2 LIKE
PROTEIN
BCL-2-LIKE PROTEIN
11

(Canarypox
virus;
Homo sapiens) 		no annotation
no annotation 		5 ILE A  81
GLY B  66
ILE B  65
ILE A  18
ALA A  98
 None
 1.02A 5e72A-5wosA:
undetectable		 5e72A-5wosA:
20.07
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 105
ILE A 104
ILE A 328
ALA A 324
THR A  98
 None
 1.04A 5e72A-5x1nA:
undetectable		 5e72A-5x1nA:
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ILE A 328
ILE A 104
ALA A 263
PRO A  99
LEU A 270
 None
 1.02A 5e72A-5x1nA:
undetectable		 5e72A-5x1nA:
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		6 ILE A   7
ILE A 956
ILE A 934
ARG A 938
MET A 939
THR A 957
 None
 1.06A 5e72A-5xblA:
undetectable		 5e72A-5xblA:
14.62
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 ILE A 307
GLY A  49
ILE A  53
THR A 378
LEU A 404
 None
 1.02A 5e72A-5yfbA:
undetectable		 5e72A-5yfbA:
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.
5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 ILE A 121
GLY A 157
ILE A 158
ARG A 114
ALA A 221
 None
 1.03A 5e72A-5ze4A:
undetectable		 5e72A-5ze4A:
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 5 ILE A  88
GLY A  81
ILE A  82
ILE A 115
ALA A 137
 None
 0.99A 5e72A-6bngA:
undetectable		 5e72A-6bngA:
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 5 ILE E 391
GLY E 384
ILE E 385
ILE E 423
LEU E1200
 None
 0.98A 5e72A-6c3pE:
undetectable		 5e72A-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.
6epi ZETA_1 TOXIN

(Neisseria
gonorrhoeae) 		no annotation 5 PHE B 348
GLY B 374
ILE B 339
ARG B 286
ALA B 326
 None
 0.88A 5e72A-6epiB:
undetectable		 5e72A-6epiB:
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.
6fej ALL4940 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ILE A  57
PHE A  53
ALA A 136
PRO A  52
LEU A 127
 None
 0.81A 5e72A-6fejA:
undetectable		 5e72A-6fejA:
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.
1d6n PROTEIN
(HYPOXANTHINE-GUANIN
E
PHOSPHORIBOSYLTRANSF
ERASE)

(Homo sapiens) 		PF00156
(Pribosyltran) 		4 ASP A 193
GLY A  70
ASP A 134
ASP A 137
 None
PRP  A 312 (-3.1A)
PRP  A 312 ( 2.9A)
PPO  A 300 ( 3.9A)
 1.13A 5e72A-1d6nA:
undetectable		 5e72A-1d6nA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ASP A 315
GLY A 317
ASP A 313
ASP A 249
 None
 1.11A 5e72A-1ggmA:
undetectable		 5e72A-1ggmA:
22.52
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.
1hgx HYPOXANTHINE-GUANINE
-XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Tritrichomonas
suis) 		PF00156
(Pribosyltran) 		4 ASP A 163
GLY A  48
ASP A 103
ASP A 106
 None
None
5GP  A 600 (-2.8A)
5GP  A 600 (-4.2A)
 1.14A 5e72A-1hgxA:
2.2		 5e72A-1hgxA:
20.81
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.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		4 ASP A  83
GLY A  87
ASP A 109
ASP A 141
 SAH  A 300 ( 4.8A)
SAH  A 300 (-3.6A)
SAH  A 300 (-2.9A)
SAH  A 300 (-3.7A)
 0.47A 5e72A-1kr5A:
10.9		 5e72A-1kr5A:
22.51
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.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ASP A 206
GLY A 210
ASP A 231
ASP A 251
 None
 0.76A 5e72A-1kywA:
11.0		 5e72A-1kywA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		4 ASP A  39
GLY A  43
ASP A  62
ASP A  90
 None
SAH  A 801 (-3.2A)
SAH  A 801 (-2.6A)
SAH  A 801 (-3.8A)
 0.57A 5e72A-1l3iA:
19.4		 5e72A-1l3iA:
21.69
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 ASP A 514
GLY A 547
ASP A 512
ASP A 614
 None
 1.17A 5e72A-1mpxA:
undetectable		 5e72A-1mpxA:
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		4 ASP A  54
GLY A  58
ASP A  78
ASP A 100
 None
 0.63A 5e72A-1ne2A:
17.2		 5e72A-1ne2A:
21.08
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 ASP A  42
GLY A  46
ASP A  66
ASP A  94
 None
 0.55A 5e72A-1nkvA:
16.2		 5e72A-1nkvA:
22.35
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.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		4 ASP A 248
GLY A 252
ASP A 271
ASP A  46
 None
SAM  A 401 (-3.3A)
SAM  A 401 (-2.9A)
SAM  A 401 (-3.6A)
 0.33A 5e72A-1nw5A:
2.1		 5e72A-1nw5A:
21.60
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.
1o9g RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF11599
(AviRa) 		4 ASP A  57
GLY A  61
ASP A  84
ASP A 153
 None
 0.73A 5e72A-1o9gA:
15.9		 5e72A-1o9gA:
25.21
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.
1pgp 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Ovis aries) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 ASP A  99
GLY A  77
ASP A  81
ASP A 114
 None
 1.16A 5e72A-1pgpA:
2.8		 5e72A-1pgpA:
22.99
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.
1pzm HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
tarentolae) 		PF00156
(Pribosyltran) 		4 ASP A 185
GLY A  67
ASP A 126
ASP A 129
 5GP  A 301 (-4.6A)
None
5GP  A 301 (-3.5A)
5GP  A 301 (-4.7A)
 1.17A 5e72A-1pzmA:
undetectable		 5e72A-1pzmA:
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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		4 ASP A  70
GLY A  74
ASP A  94
ASP A 122
 SAH  A 299 ( 4.9A)
SAH  A 299 (-3.5A)
SAH  A 299 (-2.9A)
SAH  A 299 (-3.2A)
 0.74A 5e72A-1ri3A:
15.3		 5e72A-1ri3A:
24.34
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 ASP A 137
GLY A 106
ASP A 103
ASP A  97
 None
 1.17A 5e72A-1sp3A:
undetectable		 5e72A-1sp3A:
19.37
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.
1v9v KIAA0561 PROTEIN

(Homo sapiens) 		PF08926
(DUF1908) 		4 ASP A  79
GLY A  36
ASP A  35
ASP A  85
 None
 1.00A 5e72A-1v9vA:
undetectable		 5e72A-1v9vA:
15.65
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		4 ASP A  44
GLY A  48
ASP A  67
ASP A  93
 SAM  A 302 ( 4.8A)
SAM  A 302 (-3.6A)
SAM  A 302 (-2.8A)
SAM  A 302 (-3.4A)
 0.60A 5e72A-1ve3A:
17.2		 5e72A-1ve3A:
22.51
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		4 ASP A  48
GLY A  52
ASP A  71
ASP A  98
 None
 0.69A 5e72A-1vl5A:
18.1		 5e72A-1vl5A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		4 ASP A  47
GLY A  51
ASP A  70
ASP A  96
 SAH  A1001 ( 4.8A)
SAH  A1001 (-3.1A)
SAH  A1001 (-2.7A)
SAH  A1001 (-3.3A)
 0.60A 5e72A-1wznA:
15.8		 5e72A-1wznA:
26.87
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.
1xdz METHYLTRANSFERASE
GIDB

(Bacillus
subtilis) 		PF02527
(GidB) 		4 ASP A  75
GLY A  79
ASP A 100
ASP A 126
 None
 1.20A 5e72A-1xdzA:
14.4		 5e72A-1xdzA:
21.71
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		4 ASP A  44
GLY A  48
ASP A  67
ASP A  93
 None
 0.65A 5e72A-1y8cA:
16.8		 5e72A-1y8cA:
21.49
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.
1yfz HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Caldanaerobacter
subterraneus) 		PF00156
(Pribosyltran) 		4 ASP A 161
GLY A  46
ASP A 102
ASP A 105
 MG  A1192 ( 2.6A)
IMP  A1210 (-3.2A)
MG  A1191 (-2.8A)
IMP  A1210 (-4.2A)
 1.14A 5e72A-1yfzA:
undetectable		 5e72A-1yfzA:
21.69
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.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 ASP A  61
GLY A  65
ASP A  85
ASP A 142
 None
SAH  A4001 (-3.0A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.7A)
 0.71A 5e72A-2a14A:
13.4		 5e72A-2a14A:
22.22
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 ASP A 115
GLY A 119
ASP A 140
ASP A 167
 None
SAH  A 300 (-3.5A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.0A)
 0.44A 5e72A-2b3tA:
17.9		 5e72A-2b3tA:
23.48
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.
2btv PROTEIN (VP3 CORE
PROTEIN)

(Bluetongue
virus) 		PF01700
(Orbi_VP3) 		4 ASP A 203
GLY A 195
ASP A 201
ASP A 262
 None
 1.14A 5e72A-2btvA:
undetectable		 5e72A-2btvA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2da9 SH3-DOMAIN KINASE
BINDING PROTEIN 1

(Mus musculus) 		PF14604
(SH3_9) 		4 ASP A  38
GLY A  43
ASP A  58
ASP A   8
 None
 1.21A 5e72A-2da9A:
undetectable		 5e72A-2da9A:
12.26
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		4 ASP A 124
GLY A 128
ASP A 154
ASP A 180
 SAM  A 400 ( 4.8A)
SAM  A 400 (-3.3A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 0.43A 5e72A-2f8lA:
15.9		 5e72A-2f8lA:
24.50
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.
2geb HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Caldanaerobacter
subterraneus) 		PF00156
(Pribosyltran) 		4 ASP A 161
GLY A  46
ASP A 102
ASP A 105
 None
None
CA  A 201 (-2.9A)
None
 0.97A 5e72A-2gebA:
undetectable		 5e72A-2gebA:
19.33
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 ASP A  62
GLY A  66
ASP A  86
ASP A 143
 None
SAH  A4001 (-3.2A)
SAH  A4001 (-2.9A)
SAH  A4001 (-4.0A)
 0.73A 5e72A-2i62A:
12.7		 5e72A-2i62A:
20.90
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 ASP A  61
GLY A  65
ASP A  85
ASP A 142
 None
SAH  A4001 (-3.0A)
SAH  A4001 (-2.6A)
SAH  A4001 (-3.7A)
 0.75A 5e72A-2iipA:
13.1		 5e72A-2iipA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		4 ASP A 276
GLY A 280
ASP A 299
ASP A 326
 None
SAH  A1406 (-3.4A)
SAH  A1406 (-2.8A)
SAH  A1406 (-3.1A)
 0.73A 5e72A-2jjqA:
16.2		 5e72A-2jjqA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jpo PHEROMONE-BINDING
PROTEIN

(Antheraea
polyphemus) 		PF01395
(PBP_GOBP) 		4 ASP A  75
GLY A  66
ASP A  63
ASP A 132
 None
 1.16A 5e72A-2jpoA:
undetectable		 5e72A-2jpoA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 ASP A 176
GLY A 180
ASP A 214
ASP A 243
 SAM  A 500 ( 4.9A)
SAM  A 500 (-3.2A)
SAM  A 500 (-2.9A)
SAM  A 500 (-3.3A)
 0.32A 5e72A-2okcA:
15.0		 5e72A-2okcA:
23.25
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		4 ASP A  82
GLY A  86
ASP A 110
ASP A 135
 None
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 0.65A 5e72A-2qe6A:
10.8		 5e72A-2qe6A:
25.92
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A 754
GLY A 748
ASP A 743
ASP A 738
 CA  A  23 ( 2.3A)
None
CA  A  24 ( 3.3A)
None
 1.07A 5e72A-2rhpA:
undetectable		 5e72A-2rhpA:
17.41
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		4 ASP A 314
GLY A 318
ASP A 334
ASP A 346
 SAH  A 900 ( 4.6A)
SAH  A 900 ( 3.7A)
SAH  A 900 (-2.7A)
SAH  A 900 (-3.6A)
 0.53A 5e72A-2zfuA:
10.9		 5e72A-2zfuA:
23.19
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.
3acc HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		4 ASP A 162
GLY A  47
ASP A 103
ASP A 106
 5GP  A 817 (-4.6A)
None
5GP  A 817 (-3.0A)
5GP  A 817 (-4.2A)
 1.16A 5e72A-3accA:
undetectable		 5e72A-3accA:
22.65
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.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		4 ASP A 201
GLY A 205
ASP A 223
ASP A 251
 None
ADN  A 401 ( 4.0A)
ADN  A 401 (-2.6A)
ADN  A 401 (-3.8A)
 0.46A 5e72A-3ay0A:
16.9		 5e72A-3ay0A:
23.47
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		4 ASP A 109
GLY A 113
ASP A 131
ASP A 157
 None
5GP  A 500 ( 4.5A)
5GP  A 500 (-3.1A)
5GP  A 500 (-2.7A)
 0.93A 5e72A-3b89A:
11.7		 5e72A-3b89A:
20.96
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		4 ASP A  51
GLY A  55
ASP A  74
ASP A  96
 None
None
NHE  A 195 (-3.6A)
NHE  A 195 (-4.3A)
 1.07A 5e72A-3cggA:
16.2		 5e72A-3cggA:
21.14
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		4 ASP A  38
GLY A  42
ASP A  60
ASP A  86
 None
 0.78A 5e72A-3d2lA:
17.0		 5e72A-3d2lA:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		4 ASP A  48
GLY A  52
ASP A  72
ASP A 100
 SAM  A 220 ( 4.9A)
SAM  A 220 (-3.2A)
SAM  A 220 (-2.9A)
SAM  A 220 (-3.2A)
 0.64A 5e72A-3dlcA:
14.0		 5e72A-3dlcA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		4 ASP A 288
GLY A 292
ASP A 311
ASP A 330
 None
 0.63A 5e72A-3dliA:
15.4		 5e72A-3dliA:
23.46
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		4 ASP A  48
GLY A  52
ASP A  73
ASP A  98
 None
 0.53A 5e72A-3dtnA:
15.5		 5e72A-3dtnA:
26.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eey PUTATIVE RRNA
METHYLASE

(Ruminiclostridium
thermocellum) 		PF06962
(rRNA_methylase) 		4 ASP A  26
GLY A  30
ASP A  52
ASP A  79
 SAM  A 300 ( 4.5A)
SAM  A 300 (-3.4A)
SAM  A 300 (-2.9A)
None
 0.96A 5e72A-3eeyA:
15.4		 5e72A-3eeyA:
22.41
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		4 ASP A 696
GLY A 700
ASP A 719
ASP A 747
 None
ADP  A   3 (-3.5A)
ADP  A   3 (-2.9A)
ADP  A   3 (-3.4A)
 0.44A 5e72A-3egiA:
15.7		 5e72A-3egiA:
21.84
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.
3g20 TYPE II SECRETION
PROTEIN

(Escherichia
coli) 		PF08334
(T2SSG) 		4 ASP A  97
GLY A  95
ASP A  92
ASP A 125
 None
None
None
CA  A 201 (-3.3A)
 1.15A 5e72A-3g20A:
undetectable		 5e72A-3g20A:
17.47
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		4 ASP A 696
GLY A 700
ASP A 719
ASP A 747
 None
SAH  A 854 (-3.3A)
SAH  A 854 (-2.9A)
SAH  A 854 (-3.6A)
 0.43A 5e72A-3gdhA:
17.5		 5e72A-3gdhA:
22.49
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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		4 ASP A  83
GLY A  87
ASP A 111
ASP A 138
 SAH  A 277 ( 4.7A)
SAH  A 277 (-3.1A)
SAH  A 277 (-2.7A)
SAH  A 277 (-3.5A)
 0.63A 5e72A-3go4A:
10.7		 5e72A-3go4A:
22.22
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.
3gu3 METHYLTRANSFERASE

(Bacillus cereus) 		PF13847
(Methyltransf_31) 		4 ASP A  45
GLY A  49
ASP A  71
ASP A  97
 SAH  A 401 ( 4.5A)
SAH  A 401 (-3.3A)
SAH  A 401 (-2.7A)
SAH  A 401 (-3.3A)
 0.66A 5e72A-3gu3A:
14.1		 5e72A-3gu3A:
25.41
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ASP B  33
GLY B 347
ASP B 348
ASP B 571
 None
 1.22A 5e72A-3hkzB:
undetectable		 5e72A-3hkzB:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		4 ASP A  37
GLY A  41
ASP A  60
ASP A  81
 None
 0.81A 5e72A-3i9fA:
11.5		 5e72A-3i9fA:
20.40
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.
3lby PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1697C

(Streptococcus
mutans) 		PF06962
(rRNA_methylase) 		4 ASP A  25
GLY A  29
ASP A  48
ASP A  74
 None
SAH  A4630 (-3.6A)
SAH  A4630 (-2.9A)
None
 0.98A 5e72A-3lbyA:
15.3		 5e72A-3lbyA:
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.
3lcv SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM

(Micromonospora
zionensis) 		PF07091
(FmrO) 		4 ASP B 131
GLY B 135
ASP B 156
ASP B 182
 None
SAM  B 301 ( 4.1A)
SAM  B 301 (-2.9A)
SAM  B 301 (-3.1A)
 0.81A 5e72A-3lcvB:
9.5		 5e72A-3lcvB:
23.86
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 ASP A 198
GLY A 202
ASP A 261
ASP A 289
 None
GTP  A 383 (-2.6A)
GTP  A 383 (-3.0A)
GTP  A 383 ( 3.8A)
 0.35A 5e72A-3lduA:
13.9		 5e72A-3lduA:
26.79
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		4 ASP A  49
GLY A   6
ASP A  24
ASP A  41
 None
 1.05A 5e72A-3lscA:
undetectable		 5e72A-3lscA:
23.99
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.
3mti RRNA METHYLASE

(Streptococcus
thermophilus) 		PF06962
(rRNA_methylase) 		4 ASP A  25
GLY A  29
ASP A  48
ASP A  74
 None
 1.02A 5e72A-3mtiA:
15.6		 5e72A-3mtiA:
23.41
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.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		4 ASP A  97
GLY A 100
ASP A 152
ASP A 145
 None
 1.09A 5e72A-3oz7A:
3.7		 5e72A-3oz7A:
22.50
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 ASP A 327
GLY A 331
ASP A 355
ASP A 388
 None
SAH  A 900 (-3.2A)
SAH  A 900 (-2.8A)
SAH  A 900 (-4.1A)
 0.53A 5e72A-3s1sA:
13.0		 5e72A-3s1sA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 ASP A 190
GLY A 194
ASP A 216
ASP A 243
 None
 0.53A 5e72A-3tmaA:
22.2		 5e72A-3tmaA:
29.14
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		4 ASP A 195
GLY A 199
ASP A 262
ASP A 290
 None
SAM  A 801 (-3.2A)
SAM  A 801 (-2.9A)
SAM  A 801 (-3.0A)
 0.47A 5e72A-3v8vA:
17.8		 5e72A-3v8vA:
19.55
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.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ASP A2079
GLY A2104
ASP A2102
ASP A2033
 None
None
None
VGH  A3000 (-4.5A)
 1.06A 5e72A-3zbfA:
undetectable		 5e72A-3zbfA:
21.24
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.
4fgi TSI1

(Pseudomonas
aeruginosa) 		no annotation 4 ASP B  78
GLY B  76
ASP B  72
ASP B 117
 None
 1.21A 5e72A-4fgiB:
undetectable		 5e72A-4fgiB:
19.16
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		4 ASP A 473
GLY A 468
ASP A 449
ASP A 452
 None
 1.01A 5e72A-4fnmA:
undetectable		 5e72A-4fnmA:
22.46
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.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ASP A1249
GLY A1272
ASP A1270
ASP A1203
 None
None
0UV  A1501 ( 4.2A)
0UV  A1501 ( 4.6A)
 1.01A 5e72A-4fodA:
undetectable		 5e72A-4fodA:
24.16
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 ASP A 230
GLY A 234
ASP A 254
ASP A 281
 SAH  A 501 ( 4.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-2.6A)
SAH  A 501 (-3.5A)
 0.57A 5e72A-4ineA:
14.3		 5e72A-4ineA:
20.85
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		4 ASP A  59
GLY A  63
ASP A  83
ASP A 108
 SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.5A)
 0.67A 5e72A-4iv8A:
14.2		 5e72A-4iv8A:
23.86
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 ASP A  57
GLY A  61
ASP A  80
ASP A 105
 None
SAH  A 502 (-3.4A)
SAH  A 502 (-2.5A)
SAH  A 502 (-3.0A)
 0.74A 5e72A-4krgA:
13.7		 5e72A-4krgA:
21.34
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 ASP A 226
GLY A 230
ASP A 250
ASP A 277
 SAH  A 701 ( 4.6A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
 0.52A 5e72A-4kriA:
14.6		 5e72A-4kriA:
22.85
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		4 ASP A 164
GLY A 168
ASP A 189
ASP A 217
 SAH  A 401 ( 4.6A)
SAH  A 401 (-3.5A)
SAH  A 401 (-2.7A)
SAH  A 401 ( 3.7A)
 0.48A 5e72A-4m73A:
13.5		 5e72A-4m73A:
23.12
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		4 ASP A  58
GLY A  62
ASP A  82
ASP A 107
 SAM  A 301 ( 4.6A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
 0.65A 5e72A-4mwzA:
14.7		 5e72A-4mwzA:
24.86
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		4 ASP A  45
GLY A  49
ASP A  68
ASP A  94
 SAH  A 401 ( 4.7A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.8A)
SAH  A 401 ( 3.6A)
 0.71A 5e72A-4necA:
14.6		 5e72A-4necA:
23.51
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.
4pfq HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Brachybacterium
faecium) 		PF00156
(Pribosyltran) 		4 ASP A 186
GLY A  71
ASP A 127
ASP A 130
 None
None
MG  A 400 (-2.6A)
None
 1.00A 5e72A-4pfqA:
undetectable		 5e72A-4pfqA:
22.92
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		4 ASP A  68
GLY A  72
ASP A  91
ASP A 120
 None
SAH  A 301 (-3.6A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.8A)
 0.54A 5e72A-4qdkA:
16.0		 5e72A-4qdkA:
23.01
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 ASP A 176
GLY A 180
ASP A 201
ASP A 228
 None
 1.05A 5e72A-4qvgA:
15.0		 5e72A-4qvgA:
27.50
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.
4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
anthracis) 		PF00156
(Pribosyltran) 		4 ASP A 158
GLY A  43
ASP A  99
ASP A 102
 PO4  A 202 (-4.3A)
PO4  A 202 (-3.6A)
MG  A 201 (-2.5A)
PO4  A 203 (-3.7A)
 0.96A 5e72A-4qyiA:
undetectable		 5e72A-4qyiA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		4 ASP A  61
GLY A  65
ASP A  85
ASP A 110
 SAH  A 302 ( 4.6A)
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.6A)
 0.57A 5e72A-4r6wA:
14.0		 5e72A-4r6wA:
19.78
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.
4rg8 EXONUCLEASE I

(Methylocaldum
szegediense) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		4 ASP A 397
GLY A 367
ASP A 366
ASP A 358
 None
 1.18A 5e72A-4rg8A:
undetectable		 5e72A-4rg8A:
22.61
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.
4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		4 ASP A 182
GLY A  67
ASP A 123
ASP A 126
 ASP  A 182 ( 0.5A)
GLY  A  67 (-0.0A)
ASP  A 123 (-0.6A)
ASP  A 126 (-0.5A)
 1.15A 5e72A-4rhyA:
undetectable		 5e72A-4rhyA:
21.07
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.
4y1t PERFORIN-1

(Mus musculus) 		PF00168
(C2) 		4 ASP A 435
GLY A 428
ASP A 491
ASP A 489
 CA  A 603 ( 2.3A)
CA  A 604 (-4.5A)
CA  A 602 ( 2.7A)
None
 1.14A 5e72A-4y1tA:
undetectable		 5e72A-4y1tA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ASP A 168
GLY A  97
ASP A 118
ASP A 149
 S4M  A 301 (-3.1A)
S4M  A 301 ( 4.5A)
S4M  A 301 (-3.0A)
S4M  A 301 (-3.9A)
 1.17A 5e72A-4yv2A:
12.3		 5e72A-4yv2A:
22.40
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		4 ASP A  43
GLY A  47
ASP A  67
ASP A  95
 SAH  A 301 ( 4.5A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.3A)
 0.51A 5e72A-5bp7A:
13.7		 5e72A-5bp7A:
22.95
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.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		4 ASP Z  62
GLY Z  66
ASP Z  83
ASP Z 105
 None
 0.49A 5e72A-5cm2Z:
14.5		 5e72A-5cm2Z:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		4 ASP A  65
GLY A  69
ASP A  90
ASP A 112
 SAH  A 300 ( 4.4A)
SAH  A 300 ( 3.7A)
SAH  A 300 (-2.8A)
SAH  A 300 (-2.9A)
 0.70A 5e72A-5dm4A:
11.1		 5e72A-5dm4A:
20.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 ASP A 185
GLY A 189
ASP A 208
ASP A 235
 SAM  A 400 (-2.8A)
SAM  A 400 (-3.3A)
SAM  A 400 (-2.8A)
SAM  A 400 (-3.4A)
 0.01A 5e72A-5e72A:
54.0		 5e72A-5e72A:
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		4 ASP A  42
GLY A  46
ASP A  66
ASP A  94
 SAH  A 301 ( 4.5A)
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
 0.49A 5e72A-5epeA:
12.8		 5e72A-5epeA:
22.35
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		4 ASP A  65
GLY A  69
ASP A  88
ASP A 114
 None
SAH  A 301 (-3.3A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.7A)
 0.71A 5e72A-5h02A:
18.1		 5e72A-5h02A:
22.90
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.
5ipf HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE (HGPRT)

(Schistosoma
mansoni) 		PF00156
(Pribosyltran) 		4 ASP A 200
GLY A  76
ASP A 141
ASP A 144
 None
None
IMP  A1300 (-2.4A)
IMP  A1300 (-4.3A)
 1.10A 5e72A-5ipfA:
undetectable		 5e72A-5ipfA:
21.65
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.
5k51 HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Trypanosoma
brucei) 		PF00156
(Pribosyltran) 		4 ASP A 173
GLY A  55
ASP A 114
ASP A 117
 None
None
None
6QD  A 301 (-4.3A)
 1.16A 5e72A-5k51A:
undetectable		 5e72A-5k51A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		4 ASP A  45
GLY A  49
ASP A  70
ASP A  96
 SAH  A 301 ( 4.8A)
SAH  A 301 (-3.3A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
 0.38A 5e72A-5m58A:
14.8		 5e72A-5m58A:
25.55
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		4 ASP A  45
GLY A  49
ASP A  70
ASP A  96
 SAH  A 301 ( 4.8A)
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
 0.38A 5e72A-5mgzA:
14.6		 5e72A-5mgzA:
22.13
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 4 ASP A  22
GLY A  30
ASP A  29
ASP A 102
 None
 0.97A 5e72A-5mqzA:
undetectable		 5e72A-5mqzA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 ASP A 129
GLY A 133
ASP A 152
ASP A 179
 SAH  A 414 ( 3.7A)
SAH  A 414 (-2.8A)
SAH  A 414 (-2.1A)
SAH  A 414 (-2.9A)
 0.74A 5e72A-5u4tA:
13.0		 5e72A-5u4tA:
24.22
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 4 ASP A  52
GLY A  56
ASP A  82
ASP A 109
 None
SAH  A 301 (-3.4A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
 0.69A 5e72A-5w7kA:
16.9		 5e72A-5w7kA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 ASP A 288
GLY A 292
ASP A 312
ASP A 338
 SAH  A 703 ( 4.6A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
 0.57A 5e72A-5wp4A:
14.6		 5e72A-5wp4A:
22.57
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 4 ASP A 288
GLY A 292
ASP A 312
ASP A 338
 SAH  A 501 ( 4.4A)
SAH  A 501 (-3.6A)
SAH  A 501 (-2.8A)
SAH  A 501 (-3.4A)
 0.51A 5e72A-5wp5A:
14.8		 5e72A-5wp5A:
21.83
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.
5yac TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5B

(Pyrococcus
abyssi) 		PF02475
(Met_10) 		4 ASP A 188
GLY A 192
ASP A 211
ASP A 238
 None
 0.47A 5e72A-5yacA:
17.2		 5e72A-5yacA:
22.76
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 4 ASP A 278
GLY A 282
ASP A 315
ASP A 339
 SAM  A 701 ( 4.6A)
SAM  A 701 (-3.3A)
SAM  A 701 (-2.8A)
SAM  A 701 (-3.2A)
 0.48A 5e72A-6b3bA:
11.2		 5e72A-6b3bA:
20.24
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.
6bo7 HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Plasmodium
vivax) 		no annotation 4 ASP A 204
GLY A  78
ASP A 145
ASP A 148
 MG  A 302 ( 2.5A)
YPG  A 303 (-3.8A)
MG  A 301 (-3.3A)
YPG  A 303 (-4.2A)
 1.18A 5e72A-6bo7A:
2.1		 5e72A-6bo7A:
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 4 ASP A  44
GLY A  48
ASP A  69
ASP A  93
 None
SAH  A 301 ( 3.7A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.8A)
 0.57A 5e72A-6f5zA:
15.4		 5e72A-6f5zA:
undetectable