SIMILAR PATTERNS OF AMINO ACIDS FOR 3PWW_A_ROCA1001

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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		5 ASP A  32
GLY A  76
PHE A 112
THR A 218
ILE B 300
 None
 0.60A 3pwwA-1b5fA:
24.9		 3pwwA-1b5fA:
27.48
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		6 ASP E  32
GLY E  76
LEU E  30
ILE E 213
THR E 218
ILE E 300
 None
 1.35A 3pwwA-1cziE:
39.5		 3pwwA-1cziE:
28.86
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		6 ASP E  32
GLY E  76
PHE E 112
ILE E 213
THR E 218
ILE E 300
 None
 0.46A 3pwwA-1cziE:
39.5		 3pwwA-1cziE:
28.86
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.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ILE A 635
ASP A 636
PHE A 589
TYR A 291
ILE A 509
 None
 1.10A 3pwwA-1dlcA:
undetectable		 3pwwA-1dlcA:
22.37
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.
1ff3 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Escherichia
coli) 		PF01625
(PMSR) 		5 ILE A 200
GLY A  71
ILE A  44
TYR A 139
ILE A  46
 None
 1.03A 3pwwA-1ff3A:
undetectable		 3pwwA-1ff3A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 GLY A 427
LEU A 222
PHE A 281
ILE A 348
ILE A 347
 None
 0.97A 3pwwA-1g8xA:
undetectable		 3pwwA-1g8xA:
15.22
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.
1go3 DNA-DIRECTED RNA
POLYMERASE SUBUNIT E

(Methanocaldococcus
jannaschii) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		5 ILE E 138
ASP E  91
GLY E 102
ILE E 146
ILE E 161
 None
 1.09A 3pwwA-1go3E:
undetectable		 3pwwA-1go3E:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 115
PHE A 101
PHE A 184
ILE A 187
ILE A 142
 None
 1.11A 3pwwA-1hp1A:
undetectable		 3pwwA-1hp1A:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		8 ASP A  30
ASP A  32
GLY A  75
PHE A 111
LEU A 120
ILE A 212
THR A 217
ILE A 299
 None
ZN  A1457 (-1.9A)
None
None
None
None
None
None
 0.52A 3pwwA-1ibqA:
49.0		 3pwwA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		6 ASP A  30
ASP A  32
GLY A  75
PHE A 111
LEU A 120
ILE A 299
 None
ZN  A1457 (-1.9A)
None
None
None
None
 1.17A 3pwwA-1ibqA:
49.0		 3pwwA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		9 ASP A  31
ASP A  33
GLY A  76
PHE A 112
LEU A 121
PHE A 190
ILE A 212
THR A 217
ILE A 297
 None
 0.39A 3pwwA-1izeA:
49.8		 3pwwA-1izeA:
58.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		6 ILE A  18
ASP A  31
PHE A 112
PHE A 190
ILE A 212
ILE A 297
 None
 1.43A 3pwwA-1izeA:
49.8		 3pwwA-1izeA:
58.01
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.
1j08 GLUTAREDOXIN-LIKE
PROTEIN

(Pyrococcus
horikoshii) 		PF00085
(Thioredoxin)
PF13192
(Thioredoxin_3) 		5 ILE A  84
ASP A 110
GLY A 101
LEU A  44
ILE A 179
 None
 1.10A 3pwwA-1j08A:
undetectable		 3pwwA-1j08A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 ASP A  32
GLY A  85
THR A 221
TYR A 225
ILE A 298
 None
EOH  A 575 (-4.0A)
EOH  A 575 ( 4.4A)
EOH  A 575 ( 4.0A)
None
 0.34A 3pwwA-1j71A:
36.4		 3pwwA-1j71A:
30.88
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 GLY A 438
LEU A 233
PHE A 292
ILE A 359
ILE A 358
 None
 0.97A 3pwwA-1jx2A:
undetectable		 3pwwA-1jx2A:
14.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		6 ASP A  32
GLY A  76
LEU A  30
PHE A 189
THR A 218
ILE A 300
 None
 1.25A 3pwwA-1mppA:
37.6		 3pwwA-1mppA:
31.47
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.
1nov NODAMURA VIRUS COAT
PROTEINS

(Nodamura virus) 		PF01829
(Peptidase_A6) 		5 ILE A 193
ASP A 295
GLY A 290
LEU A 278
PHE A 148
 None
 1.10A 3pwwA-1novA:
undetectable		 3pwwA-1novA:
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.
1noz DNA POLYMERASE

(Escherichia
virus T4) 		PF03104
(DNA_pol_B_exo1) 		5 ILE A 223
ASP A 219
LEU A 201
THR A 134
ILE A 322
 None
 1.02A 3pwwA-1nozA:
undetectable		 3pwwA-1nozA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 ASP E  32
GLY E  76
ILE E 213
THR E 218
ILE E 300
 HH0  E 327 (-2.7A)
HH0  E 327 (-3.2A)
None
HH0  E 327 (-3.7A)
None
 0.37A 3pwwA-1qrpE:
38.7		 3pwwA-1qrpE:
33.43
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 ASP A  34
GLY A  78
ILE A 212
THR A 217
ILE A 300
 None
 0.45A 3pwwA-1qs8A:
35.9		 3pwwA-1qs8A:
27.01
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 ILE A  78
ASP A 158
LEU A  71
ILE A 124
ILE A 133
 None
 1.02A 3pwwA-1susA:
undetectable		 3pwwA-1susA:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		5 ASP A  22
ASP A  43
ILE A 226
THR A 231
ILE A 316
 None
 1.06A 3pwwA-1tzsA:
8.9		 3pwwA-1tzsA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uh9 HIZOPUSPEPSIN I

(Rhizopus
microsporus) 		PF00026
(Asp) 		8 ASP A  33
ASP A  35
GLY A  78
PHE A 114
LEU A 122
ILE A 216
THR A 221
ILE A 298
 None
 0.40A 3pwwA-1uh9A:
42.5		 3pwwA-1uh9A:
40.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		7 ASP A  32
GLY A  64
PHE A  98
LEU A  30
ILE A 210
THR A 215
ILE A 307
 None
 1.38A 3pwwA-1wkrA:
35.4		 3pwwA-1wkrA:
33.15
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  85
THR A 221
TYR A 225
ILE A 305
 A70  A 500 ( 2.7A)
A70  A 500 (-3.5A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.45A 3pwwA-1zapA:
36.2		 3pwwA-1zapA:
29.48
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		6 ASP A  34
GLY A  78
PHE A 192
ILE A 212
THR A 217
ILE A 300
 JE2  A3151 (-3.0A)
JE2  A3151 (-3.6A)
JE2  A3151 (-4.6A)
None
JE2  A3151 (-2.6A)
JE2  A3151 ( 4.5A)
 0.80A 3pwwA-2anlA:
35.2		 3pwwA-2anlA:
23.77
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ASP A  34
PHE A 111
ILE A 212
THR A 217
ILE A 300
 IH4  A1330 (-4.2A)
IH4  A1330 (-3.4A)
IH4  A1330 ( 4.0A)
IH4  A1331 ( 4.1A)
IH4  A1330 (-4.5A)
 0.72A 3pwwA-2bjuA:
35.4		 3pwwA-2bjuA:
20.27
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.
2cyj HYPOTHETICAL PROTEIN
PH1505

(Pyrococcus
horikoshii) 		PF04430
(DUF498) 		5 ASP A  19
GLY A  15
LEU A  10
ILE A  24
ILE A  30
 None
 1.02A 3pwwA-2cyjA:
undetectable		 3pwwA-2cyjA:
13.00
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.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 ILE A 153
ASP A 121
GLY A  15
LEU A 122
ILE A  34
 None
GNP  A 302 (-2.9A)
GNP  A 302 (-3.7A)
GNP  A 302 (-4.2A)
GNP  A 302 (-4.2A)
 1.12A 3pwwA-2fg5A:
undetectable		 3pwwA-2fg5A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		5 ILE A 333
PHE A 306
ILE A 292
THR A 285
ILE A 227
 None
 1.05A 3pwwA-2fv0A:
undetectable		 3pwwA-2fv0A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis) 		PF01979
(Amidohydro_1) 		5 ILE A 371
PHE A 126
LEU A 177
PHE A 249
ILE A 307
 None
 1.08A 3pwwA-2gwnA:
undetectable		 3pwwA-2gwnA:
21.72
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  85
THR A 221
TYR A 225
ILE A 305
 None
 0.44A 3pwwA-2h6tA:
35.1		 3pwwA-2h6tA:
27.60
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.
2i4a THIOREDOXIN

(Acetobacter
aceti) 		PF00085
(Thioredoxin) 		5 ASP A  88
ASP A  26
LEU A  42
ILE A  60
THR A  77
 None
 1.05A 3pwwA-2i4aA:
undetectable		 3pwwA-2i4aA:
17.13
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.
2j9l CHLORIDE CHANNEL
PROTEIN 5

(Homo sapiens) 		PF00571
(CBS) 		5 ASP A 592
GLY A 619
LEU A 719
THR A 596
ILE A 611
 None
None
None
ATP  A1752 (-4.1A)
None
 0.89A 3pwwA-2j9lA:
undetectable		 3pwwA-2j9lA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 ILE A 210
ASP A 209
LEU A 141
ILE A 155
ILE A 230
 None
 1.12A 3pwwA-2o8rA:
undetectable		 3pwwA-2o8rA:
19.26
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.
2pjz HYPOTHETICAL PROTEIN
ST1066

(Sulfurisphaera
tokodaii) 		PF00005
(ABC_tran) 		5 GLY A  37
PHE A 248
ILE A 218
TYR A 258
ILE A 257
 None
 1.04A 3pwwA-2pjzA:
undetectable		 3pwwA-2pjzA:
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.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		5 ILE A 207
GLY A 192
LEU A 243
ILE A 313
ILE A  18
 None
 1.05A 3pwwA-2q7xA:
undetectable		 3pwwA-2q7xA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  85
THR A 221
TYR A 225
ILE A 305
 None
 0.58A 3pwwA-2qzwA:
36.0		 3pwwA-2qzwA:
30.79
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  85
THR A 221
TYR A 225
ILE A 305
 None
 0.45A 3pwwA-2qzxA:
35.9		 3pwwA-2qzxA:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		6 ASP A  38
GLY A  83
LEU A 132
PHE A 210
THR A 240
ILE A 329
 None
 0.44A 3pwwA-2rmpA:
37.6		 3pwwA-2rmpA:
30.19
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.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		5 ASP A  88
GLY A 207
LEU A 307
ILE A 274
THR A  85
 None
 1.11A 3pwwA-2vpnA:
undetectable		 3pwwA-2vpnA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		8 ASP A  33
GLY A  76
PHE A 112
LEU A 121
PHE A 190
ILE A 211
THR A 216
ILE A 297
 PP6  A 327 ( 2.7A)
PP6  A 327 (-3.5A)
PP6  A 327 ( 4.9A)
None
PP6  A 327 ( 4.8A)
None
PP6  A 327 (-3.6A)
PP6  A 327 (-4.2A)
 0.37A 3pwwA-2wedA:
48.0		 3pwwA-2wedA:
54.19
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		5 ILE A 239
GLY A  55
LEU A  38
ILE A 288
ILE A 285
 None
None
None
None
ATP  A 501 (-3.7A)
 1.09A 3pwwA-2xszA:
undetectable		 3pwwA-2xszA:
18.27
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.
2yof THYMIDYLATE KINASE

(Plasmodium
falciparum) 		PF02223
(Thymidylate_kin) 		5 ILE A 191
ASP A 130
PHE A 205
ILE A 127
ILE A  85
 None
 1.09A 3pwwA-2yofA:
undetectable		 3pwwA-2yofA:
20.12
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.
3al0 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
synthetic
construct) 		PF00749
(tRNA-synt_1c)
PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02686
(Glu-tRNAGln)
PF02934
(GatB_N) 		5 ILE A 344
GLY B  44
LEU A  83
PHE C  81
ILE C  89
 None
 0.99A 3pwwA-3al0A:
undetectable		 3pwwA-3al0A:
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		6 ASP A  19
GLY A 142
LEU A  18
PHE A 145
ILE A 106
THR A  63
 K  A 703 (-3.7A)
None
None
None
None
None
 1.27A 3pwwA-3bolA:
undetectable		 3pwwA-3bolA:
20.56
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.
3dxb THIOREDOXIN
N-TERMINALLY FUSED
TO PUF60(UHM)

(Escherichia
coli;
Homo sapiens) 		PF00085
(Thioredoxin) 		5 ASP A 370
GLY A 436
LEU A 386
ILE A 404
ILE A 416
 None
 1.02A 3pwwA-3dxbA:
undetectable		 3pwwA-3dxbA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		6 ASP A  11
ASP A  32
PHE A 189
ILE A 213
THR A 218
ILE A 301
 None
 1.38A 3pwwA-3emyA:
51.6		 3pwwA-3emyA:
60.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		9 ASP A  30
ASP A  32
GLY A  76
PHE A 111
LEU A 120
PHE A 189
ILE A 213
THR A 218
ILE A 301
 None
 0.36A 3pwwA-3emyA:
51.6		 3pwwA-3emyA:
60.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 ASP A  30
ASP A  32
PHE A 111
LEU A 120
ILE A 213
 None
 1.08A 3pwwA-3emyA:
51.6		 3pwwA-3emyA:
60.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		7 ILE A  15
ASP A  30
ASP A  32
PHE A 111
LEU A 120
PHE A 189
ILE A 213
 None
 1.17A 3pwwA-3emyA:
51.6		 3pwwA-3emyA:
60.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A  32
GLY A  79
THR A 223
TYR A 227
ILE A 303
 None
GOL  A 341 (-4.5A)
None
GOL  A 341 ( 4.6A)
None
 0.44A 3pwwA-3fv3A:
36.8		 3pwwA-3fv3A:
30.77
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		5 ILE A 299
ASP A 418
PHE A 276
ILE A 436
THR A 396
 None
ASN  A 901 (-3.2A)
None
None
None
 0.98A 3pwwA-3h0lA:
undetectable		 3pwwA-3h0lA:
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.
3h14 AMINOTRANSFERASE,
CLASSES I AND II

(Ruegeria
pomeroyi) 		PF00155
(Aminotran_1_2) 		5 ILE A  15
ASP A  18
LEU A 357
ILE A  34
ILE A  33
 None
 1.10A 3pwwA-3h14A:
undetectable		 3pwwA-3h14A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h55 ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Homo sapiens) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		5 ILE A  77
ASP A 141
GLY A 123
LEU A  91
TYR A 169
 None
 1.09A 3pwwA-3h55A:
undetectable		 3pwwA-3h55A:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1r HARMONIN
USHER SYNDROME
TYPE-1G PROTEIN

(Homo sapiens) 		PF00536
(SAM_1)
PF00595
(PDZ) 		5 GLY A 104
PHE A 188
ILE A 154
THR B 459
ILE A 151
 None
 1.09A 3pwwA-3k1rA:
undetectable		 3pwwA-3k1rA:
17.27
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.
3nvx PROTEIN A39

(Vaccinia virus) 		PF01403
(Sema) 		5 ILE A 112
LEU A  30
ILE A 388
THR A  27
ILE A 383
 None
 1.03A 3pwwA-3nvxA:
undetectable		 3pwwA-3nvxA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ASP A  32
PHE A 109
ILE A 213
THR A 218
ILE A 300
 006  A 330 (-2.8A)
None
None
006  A 330 (-3.5A)
None
 0.75A 3pwwA-3qs1A:
35.9		 3pwwA-3qs1A:
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.
3tdp FORMATE/NITRITE
TRANSPORTER

(Clostridioides
difficile) 		PF01226
(Form_Nir_trans) 		5 ILE A 218
GLY A  39
PHE A 194
ILE A 195
ILE A  45
 None
 0.99A 3pwwA-3tdpA:
undetectable		 3pwwA-3tdpA:
24.42
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.
3tlz MCCF

(Escherichia
coli) 		PF02016
(Peptidase_S66) 		5 ILE A 335
LEU A 163
ILE A 107
THR A 135
ILE A 127
 None
 0.99A 3pwwA-3tlzA:
undetectable		 3pwwA-3tlzA:
23.00
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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		5 ILE A 229
GLY A 125
PHE A 197
THR A 273
TYR A 351
 None
 1.06A 3pwwA-3vbeA:
undetectable		 3pwwA-3vbeA:
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 ASP A 158
GLY A 165
ILE A 127
TYR A 197
ILE A 200
 None
 1.07A 3pwwA-3vupA:
undetectable		 3pwwA-3vupA:
17.63
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ASP A  81
GLY A  87
ILE A  70
THR A  47
ILE A  73
 ZN  A1000 (-2.8A)
None
None
None
None
 0.74A 3pwwA-4ad9A:
undetectable		 3pwwA-4ad9A:
16.90
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ASP A 428
GLY A 509
PHE A 299
ILE A 251
ILE A 518
 None
 1.08A 3pwwA-4fsfA:
undetectable		 3pwwA-4fsfA:
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.
4i99 CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 ASP A 138
PHE A  93
ILE A 129
TYR A 114
ILE A 126
 None
 1.04A 3pwwA-4i99A:
undetectable		 3pwwA-4i99A:
19.95
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.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		5 ILE A  63
GLY A 343
PHE A 329
LEU A 308
THR A 147
 None
 0.99A 3pwwA-4kvfA:
undetectable		 3pwwA-4kvfA:
24.12
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.
4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A 447
PHE A 774
ILE A 456
TYR A 473
ILE A 465
 None
 1.04A 3pwwA-4l1mA:
undetectable		 3pwwA-4l1mA:
23.49
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.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE

(Streptococcus
uberis) 		PF00348
(polyprenyl_synt) 		5 ASP A  78
GLY A  37
PHE A 209
ILE A  11
THR A  72
 MG  A 302 (-2.5A)
None
None
None
None
 1.07A 3pwwA-4lfeA:
undetectable		 3pwwA-4lfeA:
19.77
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.
4lr4 HYPOTHETICAL PROTEIN

([Eubacterium]
rectale) 		no annotation 5 ILE A 207
GLY A 119
LEU A 249
TYR A 152
ILE A 226
 None
 1.02A 3pwwA-4lr4A:
undetectable		 3pwwA-4lr4A:
24.19
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.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ASP A 316
PHE A 336
LEU A 321
PHE A 261
ILE A 265
 None
 0.97A 3pwwA-4m7eA:
undetectable		 3pwwA-4m7eA:
18.34
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ASP A 114
GLY A 166
PHE A 117
ILE A 142
ILE A  21
 None
 1.09A 3pwwA-4mo9A:
undetectable		 3pwwA-4mo9A:
20.10
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		6 ILE A 213
LEU A 249
ILE A 400
THR A 273
TYR A 288
ILE A 402
 None
 1.35A 3pwwA-4pv4A:
undetectable		 3pwwA-4pv4A:
20.97
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		5 ILE A 126
GLY A  63
PHE A  93
ILE A 333
THR A 336
 None
 1.10A 3pwwA-4usrA:
undetectable		 3pwwA-4usrA:
22.60
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.
4x5l DOWN SYNDROME CELL
ADHESION MOLECULE,
ISOFORM AM

(Drosophila
melanogaster) 		PF13927
(Ig_3) 		5 ILE A  20
ASP A  19
GLY A  75
PHE A  52
LEU A  64
 None
 1.11A 3pwwA-4x5lA:
undetectable		 3pwwA-4x5lA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhg SIMILAR TO
UNIPROT|P29295
SACCHAROMYCES
CEREVISIAE YPL204W
HRR25

([Candida]
glabrata) 		PF00069
(Pkinase) 		5 ASP A  91
ASP A 289
PHE A 342
PHE A 102
TYR A 205
 ADP  A 501 ( 4.9A)
None
None
None
None
 1.07A 3pwwA-4xhgA:
undetectable		 3pwwA-4xhgA:
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.
4xhg SIMILAR TO
UNIPROT|P29295
SACCHAROMYCES
CEREVISIAE YPL204W
HRR25

([Candida]
glabrata) 		PF00069
(Pkinase) 		5 ASP A 261
ASP A 195
GLY A 121
LEU A 196
PHE A 150
 None
 1.09A 3pwwA-4xhgA:
undetectable		 3pwwA-4xhgA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A  32
GLY A  78
THR A 214
TYR A 218
ILE A 298
 None
 0.51A 3pwwA-4y9wA:
36.5		 3pwwA-4y9wA:
32.87
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.
4yxf MUPS

(Pseudomonas
fluorescens) 		PF13561
(adh_short_C2) 		5 ILE A 249
GLY A 146
ILE A  25
TYR A  46
ILE A  24
 None
 0.77A 3pwwA-4yxfA:
undetectable		 3pwwA-4yxfA:
22.39
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.
4zi5 P91

(metagenome) 		PF01738
(DLH) 		5 ASP A  10
ASP A  63
GLY A 120
LEU A  41
ILE A  80
 None
 1.11A 3pwwA-4zi5A:
undetectable		 3pwwA-4zi5A:
22.26
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 ILE A 170
GLY A 114
LEU A 205
ILE A  60
ILE A  95
 None
None
None
C6L  A 403 ( 4.7A)
None
 1.08A 3pwwA-4zo3A:
undetectable		 3pwwA-4zo3A:
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ILE A 299
ASP A 297
GLY A 338
ILE A 386
ILE A 383
 None
 1.06A 3pwwA-4zxlA:
undetectable		 3pwwA-4zxlA:
19.41
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 ASP C 268
PHE C 262
LEU C 271
PHE C 142
ILE C 154
 None
 0.97A 3pwwA-5cw2C:
undetectable		 3pwwA-5cw2C:
22.64
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.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		5 ILE A 346
GLY A 393
LEU A 339
ILE A 504
ILE A 501
 None
PAU  A 602 (-3.3A)
None
None
None
 1.10A 3pwwA-5e26A:
undetectable		 3pwwA-5e26A:
22.03
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 ILE A 165
ASP A 134
LEU A 124
ILE A  73
ILE A  72
 None
None
None
FMN  A 402 (-4.9A)
None
 1.12A 3pwwA-5gvhA:
undetectable		 3pwwA-5gvhA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5y NON-LEE ENCODED
EFFECTOR PROTEIN
NLEB

(Escherichia
coli) 		no annotation 5 GLY A 228
PHE A 309
ILE A 255
THR A  40
ILE A  36
 None
 1.09A 3pwwA-5h5yA:
undetectable		 3pwwA-5h5yA:
13.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		6 ASP A  33
ASP A  35
GLY A  80
PHE A 116
LEU A 125
ILE A 217
 61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 (-4.1A)
61P  A 406 ( 4.7A)
None
None
 1.19A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		12 ILE A  10
ASP A  15
ASP A  33
ASP A  35
GLY A  80
PHE A 116
LEU A 125
PHE A 194
ILE A 217
THR A 222
TYR A 226
ILE A 304
 None
PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 (-4.1A)
61P  A 406 ( 4.7A)
None
None
None
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
 0.48A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		6 ILE A  10
ASP A  15
ASP A  33
GLY A  82
PHE A 116
LEU A 125
 None
PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
None
61P  A 406 ( 4.7A)
None
 1.15A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		6 ILE A 122
GLY A  80
ILE A 217
THR A 222
TYR A 226
ILE A 304
 None
61P  A 406 (-4.1A)
None
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
 1.07A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
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.
5kck ANTHRANILATE
SYNTHASE COMPONENT I

(Streptococcus
pneumoniae) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 GLY A 115
PHE A  94
ILE A 250
TYR A 418
ILE A 411
 None
 1.08A 3pwwA-5kckA:
undetectable		 3pwwA-5kckA:
22.37
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 ILE A 412
PHE A 986
ILE A 985
THR A 978
ILE A1003
 None
 0.90A 3pwwA-5lq3A:
undetectable		 3pwwA-5lq3A:
16.24
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 5 ASP A  36
GLY A  80
ILE A 225
THR A 230
ILE A 313
 None
 0.52A 3pwwA-5n7qA:
39.7		 3pwwA-5n7qA:
13.83
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ASP A  80
PHE A 161
ILE A 265
THR A 270
ILE A 357
 None
 0.69A 3pwwA-5nfgA:
38.1		 3pwwA-5nfgA:
26.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		12 ILE A  10
ASP A  15
ASP A  33
ASP A  35
GLY A  80
PHE A 116
LEU A 125
PHE A 194
ILE A 217
THR A 222
TYR A 226
ILE A 304
 None
 0.24A 3pwwA-5p60A:
57.9		 3pwwA-5p60A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		6 ILE A  10
ASP A  15
ASP A  33
GLY A  82
PHE A 116
LEU A 125
 None
 1.04A 3pwwA-5p60A:
57.9		 3pwwA-5p60A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ILE A 122
ILE A 217
THR A 222
TYR A 226
ILE A 304
 None
 1.03A 3pwwA-5p60A:
57.9		 3pwwA-5p60A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		5 ASP A  32
GLY A  76
ILE A 213
THR A 218
ILE A 301
 None
 0.49A 3pwwA-5pepA:
38.4		 3pwwA-5pepA:
31.66
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.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		5 GLY A 511
LEU A 253
PHE A 394
ILE A 482
THR A 347
 None
 1.01A 3pwwA-5t6oA:
undetectable		 3pwwA-5t6oA:
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.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 5 ASP A  36
PHE A 113
ILE A 214
THR A 219
ILE A 302
 K95  A 401 ( 2.6A)
None
None
K95  A 401 (-3.8A)
None
 0.64A 3pwwA-5yidA:
36.1		 3pwwA-5yidA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c43 GAMMA-AMINOBUTYRALDE
HYDE DEHYDROGENASE

(Salmonella
enterica) 		no annotation 5 ASP A 279
GLY A 267
LEU A 307
ILE A 386
ILE A 286
 None
 1.09A 3pwwA-6c43A:
undetectable		 3pwwA-6c43A:
13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ayz UBIQUITIN-CONJUGATIN
G ENZYME RAD6

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		4 ILE A  91
TYR A 100
ASP A 101
SER A 104
 None
 0.77A 3pwwA-1ayzA:
undetectable		 3pwwA-1ayzA:
20.06
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.
1b4t PROTEIN (CU/ZN
SUPEROXIDE
DISMUTASE)

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu) 		4 GLY A 138
SER A 134
ASP A  76
ASP A 124
 None
 0.84A 3pwwA-1b4tA:
undetectable		 3pwwA-1b4tA:
21.19
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		5 GLY A  34
SER A  35
ILE A  73
TYR A  75
ASP A 215
 None
 0.37A 3pwwA-1b5fA:
24.9		 3pwwA-1b5fA:
27.48
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 GLY E  34
SER E  35
ILE E  73
TYR E  75
ASP E 215
 None
 0.33A 3pwwA-1cziE:
39.5		 3pwwA-1cziE:
28.86
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.
1ggp PROTEIN (LECTIN 1 A
CHAIN)

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		4 GLY A 130
ILE A 158
ASP A  20
THR A  13
 None
 0.66A 3pwwA-1ggpA:
undetectable		 3pwwA-1ggpA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		4 GLY A 547
ILE A 543
ASP A 663
THR A 573
 None
 0.82A 3pwwA-1h7wA:
undetectable		 3pwwA-1h7wA:
15.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		6 GLY A  34
SER A  35
ILE A  72
TYR A  74
ASP A 214
THR A 218
 ZN  A1457 (-3.6A)
None
None
None
ZN  A1457 (-1.9A)
None
 0.31A 3pwwA-1ibqA:
49.0		 3pwwA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		6 GLY A  34
SER A  35
ILE A  72
TYR A  74
SER A  78
ASP A 214
 ZN  A1457 (-3.6A)
None
None
None
None
ZN  A1457 (-1.9A)
 0.39A 3pwwA-1ibqA:
49.0		 3pwwA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		4 ILE A  72
TYR A  74
ASP A  76
SER A  78
 None
 0.53A 3pwwA-1ibqA:
49.0		 3pwwA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		8 GLY A  35
SER A  36
ILE A  73
TYR A  75
ASP A  77
SER A  79
ASP A 214
THR A 218
 None
 0.45A 3pwwA-1izeA:
49.8		 3pwwA-1izeA:
58.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		6 GLY A  34
SER A  35
ILE A  82
TYR A  84
ASP A  86
THR A 222
 None
 0.55A 3pwwA-1j71A:
36.3		 3pwwA-1j71A:
30.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		6 GLY A  34
SER A  35
ILE A  82
TYR A  84
ASP A 218
THR A 222
 None
 0.22A 3pwwA-1j71A:
36.3		 3pwwA-1j71A:
30.88
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.
1lyb CATHEPSIN D

(Homo sapiens) 		PF00026
(Asp) 		4 GLY A  35
SER A  36
ILE A  76
TYR A  78
 None
 0.36A 3pwwA-1lybA:
9.0		 3pwwA-1lybA:
17.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 GLY A  34
SER A  35
ILE A  73
TYR A  75
ASP A 215
 None
 0.36A 3pwwA-1mppA:
37.6		 3pwwA-1mppA:
31.47
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		5 GLY A  38
SER A  39
ILE A  78
TYR A  80
ASP A 223
 None
 0.68A 3pwwA-1qdmA:
37.1		 3pwwA-1qdmA:
25.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 GLY E  34
SER E  35
ILE E  73
TYR E  75
ASP E 215
 HH0  E 327 (-4.1A)
HH0  E 327 (-4.1A)
None
HH0  E 327 (-4.5A)
HH0  E 327 (-2.5A)
 0.34A 3pwwA-1qrpE:
38.7		 3pwwA-1qrpE:
33.43
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		6 GLY A  36
SER A  37
ILE A  75
TYR A  77
ASP A 214
THR A 218
 None
 0.54A 3pwwA-1qs8A:
35.9		 3pwwA-1qs8A:
27.01
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 GLY A 267
SER A 266
ILE A  82
SER A  72
 None
 0.84A 3pwwA-1r6xA:
undetectable		 3pwwA-1r6xA:
21.79
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		5 GLY A  34
SER A  35
ILE A  73
TYR A  75
ASP A 215
 None
 0.26A 3pwwA-1smrA:
37.7		 3pwwA-1smrA:
28.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		4 GLY A 344
ILE A 291
ASP A 248
SER A 247
 None
 0.71A 3pwwA-1tr1A:
undetectable		 3pwwA-1tr1A:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		4 GLY A  45
SER A  46
TYR A  86
ASP A 228
 None
 0.41A 3pwwA-1tzsA:
8.9		 3pwwA-1tzsA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uh9 HIZOPUSPEPSIN I

(Rhizopus
microsporus) 		PF00026
(Asp) 		7 GLY A  37
SER A  38
ILE A  75
TYR A  77
SER A  81
ASP A 218
THR A 222
 None
 0.37A 3pwwA-1uh9A:
42.5		 3pwwA-1uh9A:
40.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uh9 HIZOPUSPEPSIN I

(Rhizopus
microsporus) 		PF00026
(Asp) 		6 SER A  38
ILE A  75
TYR A  77
ASP A  79
SER A  81
THR A 222
 None
 0.67A 3pwwA-1uh9A:
42.5		 3pwwA-1uh9A:
40.46
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLY A 216
SER A 305
ASP A 296
SER A 298
 None
None
PYC  A 700 (-3.3A)
PYC  A 700 ( 4.3A)
 0.84A 3pwwA-1w61A:
undetectable		 3pwwA-1w61A:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 GLY A  34
SER A  35
TYR A  63
ASP A 212
THR A 216
 None
 0.34A 3pwwA-1wkrA:
35.5		 3pwwA-1wkrA:
33.15
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.
1xso COPPER,ZINC
SUPEROXIDE DISMUTASE

(Xenopus laevis) 		PF00080
(Sod_Cu) 		4 GLY A 136
SER A 132
ASP A  74
ASP A 122
 None
 0.85A 3pwwA-1xsoA:
undetectable		 3pwwA-1xsoA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		7 GLY A  34
SER A  35
ILE A  82
TYR A  84
ASP A  86
ASP A 218
THR A 222
 A70  A 500 (-3.8A)
A70  A 500 ( 4.5A)
None
A70  A 500 (-3.8A)
A70  A 500 (-3.1A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.0A)
 0.33A 3pwwA-1zapA:
36.2		 3pwwA-1zapA:
29.48
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		7 GLY A  34
SER A  35
TYR A  84
ASP A  86
SER A  88
ASP A 218
THR A 222
 A70  A 500 (-3.8A)
A70  A 500 ( 4.5A)
A70  A 500 (-3.8A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.0A)
 0.48A 3pwwA-1zapA:
36.2		 3pwwA-1zapA:
29.48
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.
2aml SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 GLY A 138
SER A 139
SER A  49
ASP A 136
THR A 134
 None
None
PO4  A 362 (-2.5A)
None
None
 1.29A 3pwwA-2amlA:
undetectable		 3pwwA-2amlA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		5 GLY A  36
SER A  37
ILE A  75
TYR A  77
ASP A 214
 JE2  A3151 (-2.7A)
None
None
JE2  A3151 (-3.6A)
JE2  A3151 (-2.5A)
 0.51A 3pwwA-2anlA:
35.2		 3pwwA-2anlA:
23.77
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.
2e47 TIME INTERVAL
MEASURING ENZYME
TIME

(Bombyx mori) 		PF00080
(Sod_Cu) 		4 GLY A 142
SER A 138
ASP A  80
ASP A 128
 None
 0.82A 3pwwA-2e47A:
undetectable		 3pwwA-2e47A:
20.00
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 GLY A  50
SER A  51
TYR A  87
ASP A 241
THR A 245
 DBO  A1001 (-3.7A)
DBO  A1001 (-4.1A)
DBO  A1001 (-3.8A)
DBO  A1001 (-3.2A)
DBO  A1001 (-3.8A)
 0.29A 3pwwA-2ewyA:
5.1		 3pwwA-2ewyA:
28.53
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		4 GLY A  35
SER A  36
TYR A  78
ASP A 221
 4IG  A 885 (-3.5A)
4IG  A 885 ( 4.8A)
4IG  A 885 (-4.0A)
4IG  A 885 (-2.6A)
 0.22A 3pwwA-2g1sA:
37.8		 3pwwA-2g1sA:
28.22
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.
2glj PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Clostridium
acetobutylicum) 		PF02127
(Peptidase_M18) 		4 SER A 299
ILE A 422
SER A 340
ASP A 107
 None
 0.71A 3pwwA-2gljA:
undetectable		 3pwwA-2gljA:
21.33
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		6 GLY A  34
SER A  35
ILE A  82
TYR A  84
ASP A  86
ASP A 218
 None
 0.51A 3pwwA-2h6tA:
35.1		 3pwwA-2h6tA:
27.60
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		6 GLY A  34
SER A  35
ILE A  82
TYR A  84
ASP A 218
THR A 222
 None
 0.31A 3pwwA-2h6tA:
35.1		 3pwwA-2h6tA:
27.60
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.
2j1n OUTER MEMBRANE
PROTEIN C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 GLY A 248
SER A 249
ASP A  28
THR A 334
 None
None
None
MG  A1347 (-4.7A)
 0.75A 3pwwA-2j1nA:
undetectable		 3pwwA-2j1nA:
23.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		7 GLY A  34
SER A  35
ILE A  82
TYR A  84
SER A  88
ASP A 218
THR A 222
 None
 0.38A 3pwwA-2qzwA:
36.0		 3pwwA-2qzwA:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ILE A  82
TYR A  84
ASP A  86
SER A  88
THR A 222
 None
 0.67A 3pwwA-2qzwA:
36.0		 3pwwA-2qzwA:
30.79
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		7 GLY A  34
SER A  35
ILE A  82
TYR A  84
SER A  88
ASP A 218
THR A 222
 None
 0.34A 3pwwA-2qzxA:
35.9		 3pwwA-2qzxA:
29.57
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		7 SER A  35
ILE A  82
TYR A  84
ASP A  86
SER A  88
ASP A 218
THR A 222
 None
 0.57A 3pwwA-2qzxA:
35.9		 3pwwA-2qzxA:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		5 GLY A  40
SER A  41
ILE A  80
TYR A  82
ASP A 237
 None
 0.42A 3pwwA-2rmpA:
37.6		 3pwwA-2rmpA:
30.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		8 GLY A  35
SER A  36
ILE A  73
TYR A  75
ASP A  77
SER A  79
ASP A 213
THR A 217
 PP6  A 327 (-4.0A)
PP6  A 327 ( 4.0A)
None
PP6  A 327 (-3.8A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.4A)
PP6  A 327 ( 2.5A)
PP6  A 327 (-4.5A)
 0.29A 3pwwA-2wedA:
48.0		 3pwwA-2wedA:
54.19
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 ILE A 699
TYR A 701
ASP A 703
SER A 705
 None
 0.42A 3pwwA-2xsgA:
undetectable		 3pwwA-2xsgA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zpk IGG1-LAMBDA P20.1
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  77
TYR H  79
SER H  70
THR H  17
 None
 0.56A 3pwwA-2zpkH:
undetectable		 3pwwA-2zpkH:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		8 GLY A  34
SER A  35
ILE A  73
TYR A  75
ASP A  77
SER A  79
ASP A 215
THR A 219
 None
 0.56A 3pwwA-3emyA:
51.6		 3pwwA-3emyA:
60.61
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.
3fd0 PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
innocua) 		PF06838
(Met_gamma_lyase) 		4 SER A 167
SER A 370
ASP A 200
THR A  86
 LLP  A 226 ( 4.1A)
LLP  A 226 ( 4.2A)
LLP  A 226 ( 2.8A)
LLP  A 226 ( 3.6A)
 0.81A 3pwwA-3fd0A:
undetectable		 3pwwA-3fd0A:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		8 GLY A  34
SER A  35
ILE A  76
TYR A  78
ASP A  80
SER A  82
ASP A 220
THR A 224
 None
 0.55A 3pwwA-3fv3A:
36.8		 3pwwA-3fv3A:
30.77
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 GLY A 621
ILE A 646
ASP A 625
SER A 640
 None
 0.63A 3pwwA-3gq9A:
undetectable		 3pwwA-3gq9A:
20.48
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.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		4 GLY A 235
SER A 236
TYR A 293
THR A 229
 None
 0.76A 3pwwA-3h2iA:
undetectable		 3pwwA-3h2iA:
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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		4 SER A 184
SER A 387
ASP A 217
THR A 100
 None
TLA  A 427 ( 4.9A)
None
TLA  A 427 (-3.8A)
 0.77A 3pwwA-3i16A:
undetectable		 3pwwA-3i16A:
24.42
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.
3jzl PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
monocytogenes) 		PF06838
(Met_gamma_lyase) 		4 SER A 167
SER A 370
ASP A 200
THR A  86
 LLP  A 226 ( 4.1A)
LLP  A 226 ( 3.0A)
LLP  A 226 ( 2.8A)
LLP  A 226 ( 3.4A)
 0.78A 3pwwA-3jzlA:
undetectable		 3pwwA-3jzlA:
21.51
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.
3nbe RICIN B-LIKE LECTIN

(Clitocybe
nebularis) 		PF14200
(RicinB_lectin_2) 		4 GLY A  81
ASP A 132
SER A 135
ASP A  80
 None
 0.84A 3pwwA-3nbeA:
undetectable		 3pwwA-3nbeA:
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		4 GLY A  34
SER A  35
TYR A  75
ASP A 215
 None
 0.43A 3pwwA-3psgA:
34.7		 3pwwA-3psgA:
29.81
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 145
ILE A  52
SER A  10
THR A 148
 None
 0.82A 3pwwA-3qfkA:
undetectable		 3pwwA-3qfkA:
20.26
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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 GLY A  34
SER A  35
TYR A  75
ASP A 215
 006  A 330 (-3.2A)
006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 (-2.8A)
 0.45A 3pwwA-3qs1A:
35.9		 3pwwA-3qs1A:
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 GLY A 621
ILE A 646
ASP A 625
SER A 640
 None
 0.67A 3pwwA-3sucA:
undetectable		 3pwwA-3sucA:
19.07
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 GLY A 275
ILE A  17
SER A 115
ASP A 278
 ADN  A 353 (-3.7A)
None
ADN  A 353 ( 4.0A)
ADN  A 353 (-3.3A)
 0.82A 3pwwA-3uboA:
undetectable		 3pwwA-3uboA:
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.
3uit INAD-LIKE PROTEIN,
MAGUK P55 SUBFAMILY
MEMBER 5, PROTEIN
LIN-7 HOMOLOG B

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF02828
(L27)
PF09045
(L27_2)
PF09060
(L27_N) 		4 GLY A  27
ILE A  92
ASP A  98
SER A 101
 None
 0.73A 3pwwA-3uitA:
undetectable		 3pwwA-3uitA:
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 GLY A 269
SER A 268
SER A 367
THR A 285
 None
 0.67A 3pwwA-3zppA:
undetectable		 3pwwA-3zppA:
22.81
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 GLY A 274
ILE A 245
ASP A 190
SER A 238
 EDO  A 405 (-3.3A)
None
None
None
 0.72A 3pwwA-4f0jA:
undetectable		 3pwwA-4f0jA:
19.66
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.
4gg2 GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 HEAVY
CHAIN

(Homo sapiens) 		PF01019
(G_glu_transpept) 		4 GLY A 140
ILE A  93
ASP A  66
SER A  63
 None
None
None
NAG  A 401 ( 4.0A)
 0.83A 3pwwA-4gg2A:
undetectable		 3pwwA-4gg2A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjc ENVELOPE
GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF07245
(Phlebovirus_G2) 		4 GLY A 886
ILE A 863
ASP A 867
SER A 869
 None
 0.73A 3pwwA-4hjcA:
undetectable		 3pwwA-4hjcA:
23.38
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.
4j9w PROLINE RACEMASE
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05544
(Pro_racemase) 		4 GLY A 160
SER A 241
ASP A 232
SER A 234
 None
None
PYC  A 402 (-3.6A)
PYC  A 402 ( 4.4A)
 0.83A 3pwwA-4j9wA:
undetectable		 3pwwA-4j9wA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jbd PROLINE RACEMASE

(Pseudomonas
putida) 		PF05544
(Pro_racemase) 		4 GLY A 160
SER A 241
ASP A 232
SER A 234
 None
 0.84A 3pwwA-4jbdA:
undetectable		 3pwwA-4jbdA:
19.77
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 GLY B 170
SER B 261
ASP B 252
SER B 254
 None
None
PYC  B 904 (-3.2A)
PYC  B 904 ( 3.9A)
 0.82A 3pwwA-4k7gB:
undetectable		 3pwwA-4k7gB:
24.48
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A3316
ASP A3157
SER A3634
THR A3415
 None
 0.83A 3pwwA-4kc5A:
undetectable		 3pwwA-4kc5A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 GLY A 280
SER A 279
SER A 378
THR A 256
 None
 0.77A 3pwwA-4mr0A:
undetectable		 3pwwA-4mr0A:
19.85
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 GLY A 280
SER A 279
SER A 378
THR A 296
 None
 0.67A 3pwwA-4mr0A:
undetectable		 3pwwA-4mr0A:
19.85
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		4 GLY A 153
TYR A  90
ASP A  86
SER A  89
 None
 0.85A 3pwwA-4p9nA:
undetectable		 3pwwA-4p9nA:
22.93
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		5 GLY A 270
SER A 189
ILE A 191
SER A  55
ASP A 243
 None
 1.41A 3pwwA-4psuA:
undetectable		 3pwwA-4psuA:
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.
4q2h PROLINE RACEMASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF05544
(Pro_racemase) 		4 GLY A 173
SER A 260
ASP A 251
SER A 253
 None
None
CSO  A 255 (-3.5A)
CSO  A 255 ( 3.0A)
 0.84A 3pwwA-4q2hA:
undetectable		 3pwwA-4q2hA:
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		4 GLY A  34
SER A  35
ASP A 228
THR A 232
 3LL  A 501 ( 3.9A)
3LL  A 501 ( 4.3A)
3LL  A 501 (-2.6A)
GOL  A 506 ( 4.3A)
 0.24A 3pwwA-4rcdA:
32.4		 3pwwA-4rcdA:
28.64
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.
4unr THYMIDYLATE KINASE

(Mycobacterium
tuberculosis) 		PF02223
(Thymidylate_kin) 		4 GLY A  83
TYR A  88
ASP A  89
SER A  30
 None
 0.76A 3pwwA-4unrA:
undetectable		 3pwwA-4unrA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		8 GLY A  34
SER A  35
ILE A  75
TYR A  77
ASP A  79
SER A  81
ASP A 211
THR A 215
 None
 0.50A 3pwwA-4y9wA:
36.5		 3pwwA-4y9wA:
32.87
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.
4ymw ABC-TYPE AMINO ACID
TRANSPORT SYSTEM,
PERMEASE COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 4 GLY D  37
SER D 100
ILE D  62
TYR D  58
 None
 0.68A 3pwwA-4ymwD:
undetectable		 3pwwA-4ymwD:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		4 GLY A 254
SER A 255
ILE A 173
ASP A 201
 EDO  A1578 (-3.5A)
None
None
None
 0.73A 3pwwA-5a29A:
undetectable		 3pwwA-5a29A:
20.21
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 719
ILE A 216
SER A 219
ASP A 701
 None
 0.77A 3pwwA-5fr8A:
undetectable		 3pwwA-5fr8A:
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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 GLY A 238
SER A 237
ASP A 131
THR A 153
 None
 0.82A 3pwwA-5gndA:
undetectable		 3pwwA-5gndA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		7 GLY A  37
SER A  38
ILE A  77
TYR A  79
SER A  83
ASP A 219
THR A 223
 61P  A 406 ( 4.0A)
None
None
61P  A 406 (-4.3A)
61P  A 406 (-3.0A)
61P  A 406 (-2.9A)
PG4  A 408 (-3.8A)
 0.27A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		6 SER A  38
ILE A  77
TYR A  79
ASP A  81
SER A  83
THR A 223
 None
None
61P  A 406 (-4.3A)
61P  A 406 ( 2.8A)
61P  A 406 (-3.0A)
PG4  A 408 (-3.8A)
 0.52A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 5 GLY B  36
SER B  37
ILE B  75
TYR B  77
ASP B 214
 None
 0.59A 3pwwA-5i70B:
36.3		 3pwwA-5i70B:
27.87
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.
5kiq PLATELET-BINDING
GLYCOPROTEIN

(Streptococcus
sanguinis) 		no annotation 4 ILE A 426
TYR A 428
ASP A 430
SER A 432
 None
 0.39A 3pwwA-5kiqA:
undetectable		 3pwwA-5kiqA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksw DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		4 GLY B 119
ILE B 167
ASP B 171
SER B 173
 None
 0.65A 3pwwA-5kswB:
undetectable		 3pwwA-5kswB:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 4 GLY H 187
SER H  46
ASP H 297
THR H 252
 None
None
MG  H 401 (-3.0A)
None
 0.78A 3pwwA-5mgyH:
undetectable		 3pwwA-5mgyH:
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.
5mkt RENIN-1

(Mus musculus) 		no annotation 4 GLY A  83
SER A  84
ILE A 124
ASP A 266
 None
 0.50A 3pwwA-5mktA:
32.0		 3pwwA-5mktA:
13.40
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 4 GLY A  83
SER A  84
ILE A 124
ASP A 266
 None
 0.41A 3pwwA-5mlgA:
36.3		 3pwwA-5mlgA:
14.23
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 5 GLY A  38
SER A  39
ILE A  77
TYR A  79
ASP A 227
 None
 0.33A 3pwwA-5n7qA:
39.7		 3pwwA-5n7qA:
13.83
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 4 GLY A  82
SER A  83
ILE A 122
ASP A 267
 None
 0.35A 3pwwA-5nfgA:
38.2		 3pwwA-5nfgA:
26.94
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.
5njf METALLOPROTEASE TLDD

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		4 GLY A  65
ILE A 166
TYR A  39
ASP A  37
 None
 0.78A 3pwwA-5njfA:
undetectable		 3pwwA-5njfA:
21.40
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.
5nzb PROFILIN-2

(Betula pendula) 		no annotation 4 GLY A 100
ILE A  27
ASP A  31
SER A  33
 None
 0.80A 3pwwA-5nzbA:
undetectable		 3pwwA-5nzbA:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		8 GLY A  37
SER A  38
ILE A  77
TYR A  79
ASP A  81
SER A  83
ASP A 219
THR A 223
 None
 0.45A 3pwwA-5p60A:
57.9		 3pwwA-5p60A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		5 GLY A  34
SER A  35
ILE A  73
TYR A  75
ASP A 215
 None
 0.46A 3pwwA-5pepA:
38.4		 3pwwA-5pepA:
31.66
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.
5uff RBC36

(Petromyzon
marinus) 		no annotation 4 GLY A  81
SER A  82
ASP A 152
ASP A 103
 None
8B7  A 300 ( 4.2A)
8B7  A 300 (-3.0A)
8B7  A 300 (-3.2A)
 0.73A 3pwwA-5uffA:
undetectable		 3pwwA-5uffA:
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.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 ILE A  77
TYR A  79
SER A  70
THR A  17
 None
 0.49A 3pwwA-5xctA:
undetectable		 3pwwA-5xctA:
19.76
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.
5xnr ALYQ

(Persicobacter
sp. CCB-QB2) 		no annotation 4 ILE A 343
TYR A 345
ASP A 347
SER A 349
 None
 0.61A 3pwwA-5xnrA:
undetectable		 3pwwA-5xnrA:
13.00
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 5 GLY A  82
SER A  83
TYR A 139
ASP A 313
THR A 317
 EQG  A 504 (-3.0A)
EQG  A 504 (-4.3A)
EQG  A 504 (-3.2A)
EQG  A 504 (-2.1A)
EQG  A 504 (-2.9A)
 0.19A 3pwwA-6c4gA:
32.0		 3pwwA-6c4gA:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 5 GLY A  82
TYR A 139
SER A 143
ASP A 313
THR A 317
 EQG  A 504 (-3.0A)
EQG  A 504 (-3.2A)
EQG  A 504 ( 4.3A)
EQG  A 504 (-2.1A)
EQG  A 504 (-2.9A)
 0.49A 3pwwA-6c4gA:
32.0		 3pwwA-6c4gA:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 4 GLY A 365
SER A 361
TYR A 400
SER A 348
 None
 0.84A 3pwwA-6cv0A:
undetectable		 3pwwA-6cv0A:
15.62
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 4 GLY A 443
SER A 444
ASP A 637
THR A 641
 B7E  A 901 ( 3.8A)
B7E  A 901 ( 3.7A)
B7E  A 901 (-2.6A)
None
 0.30A 3pwwA-6ej2A:
9.0		 3pwwA-6ej2A:
13.18