SIMILAR PATTERNS OF AMINO ACIDS FOR 5E72_A_SAMA400_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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