SIMILAR PATTERNS OF AMINO ACIDS FOR 3PRS_A_RITA1001_2

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		5 ASP A 331
GLY A 139
GLY A 180
PHE A  99
TYR A  96
 None
 1.09A 3prsA-1a0cA:
undetectable		 3prsA-1a0cA:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
 None
 0.42A 3prsA-1am5A:
37.5		 3prsA-1am5A:
30.81
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		6 ASP A  32
GLY A  34
ASP A   9
ASP A 215
THR A 218
ILE B 300
 None
 1.22A 3prsA-1b5fA:
25.0		 3prsA-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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		6 ASP A  32
GLY A  34
GLY A  76
ASP A 215
THR A 218
ILE B 300
 None
 0.43A 3prsA-1b5fA:
25.0		 3prsA-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  34
GLY E  76
ASP E 215
THR E 218
ILE E 300
 None
 0.41A 3prsA-1cziE:
39.5		 3prsA-1cziE:
28.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		5 ASP B  32
GLY B  34
ASP B 217
THR B 220
ILE B 303
 None
 0.56A 3prsA-1htrB:
31.4		 3prsA-1htrB:
32.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
GLY A  49
ASP A  25
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 ( 3.7A)
A79  A 800 (-2.8A)
A79  A 800 (-3.8A)
 0.59A 3prsA-1hvcA:
10.6		 3prsA-1hvcA:
19.27
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
GLY A  49
ASP A  25
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.6A)
 0.65A 3prsA-1hvcA:
10.6		 3prsA-1hvcA:
19.27
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  34
GLY A  75
ASP A 114
ASP A 214
THR A 217
ILE A 299
 None
ZN  A1457 (-1.9A)
ZN  A1457 (-3.6A)
None
None
ZN  A1457 (-1.9A)
None
None
 0.58A 3prsA-1ibqA:
49.0		 3prsA-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) 		5 ASP A  14
ASP A  33
GLY A  35
PHE A 190
ASP A 214
 None
 1.14A 3prsA-1izeA:
49.9		 3prsA-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) 		10 ASP A  31
ASP A  33
GLY A  35
GLY A  76
ASP A  77
ASP A 115
PHE A 190
ASP A 214
THR A 217
ILE A 297
 None
 0.39A 3prsA-1izeA:
49.9		 3prsA-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) 		7 ASP A  32
GLY A  34
ASP A 120
ASP A 218
THR A 221
TYR A 225
ILE A 298
 None
None
None
None
EOH  A 575 ( 4.4A)
EOH  A 575 ( 4.0A)
None
 0.55A 3prsA-1j71A:
36.5		 3prsA-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) 		8 ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 218
THR A 221
TYR A 225
ILE A 298
 None
None
EOH  A 575 (-4.0A)
None
None
EOH  A 575 ( 4.4A)
EOH  A 575 ( 4.0A)
None
 0.42A 3prsA-1j71A:
36.5		 3prsA-1j71A:
30.88
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) 		7 ASP A  32
GLY A  34
GLY A  76
PHE A 189
ASP A 215
THR A 218
ILE A 300
 None
 0.42A 3prsA-1mppA:
37.8		 3prsA-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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ASP A 161
ASP A 162
GLY A 166
TYR A 209
ILE A 206
 None
 1.10A 3prsA-1qhoA:
undetectable		 3prsA-1qhoA:
20.96
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) 		6 ASP E  32
GLY E  34
GLY E  76
ASP E 215
THR E 218
ILE E 300
 HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-3.2A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.7A)
None
 0.42A 3prsA-1qrpE:
38.8		 3prsA-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 ASP A  34
GLY A  36
GLY A  78
ASP A 214
THR A 217
ILE A 300
 None
 0.40A 3prsA-1qs8A:
36.1		 3prsA-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.
1sgq STREPTOMYCES GRISEUS
PROTEINASE B

(Streptomyces
griseus) 		PF00089
(Trypsin) 		6 ASP E  60
ASP E 102
GLY E 197
GLY E 193
ASP E 175
ILE E  31
 None
 1.30A 3prsA-1sgqE:
undetectable		 3prsA-1sgqE:
22.75
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.
1sl8 AEQUORIN 1

(Aequorea
victoria) 		PF13202
(EF-hand_5) 		5 GLY A 173
ASP A 155
PHE A  67
THR A 168
TYR A  99
 None
CA  A 669 (-3.2A)
None
None
None
 1.02A 3prsA-1sl8A:
undetectable		 3prsA-1sl8A:
21.43
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) 		6 ASP A  22
ASP A  43
GLY A  45
ASP A 228
THR A 231
ILE A 316
 None
 0.84A 3prsA-1tzsA:
8.6		 3prsA-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  37
GLY A  78
ASP A  79
ASP A 218
THR A 221
ILE A 298
 None
 0.44A 3prsA-1uh9A:
42.5		 3prsA-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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ASP A 549
GLY A 573
GLY A 557
PHE A 618
THR A 567
 None
 1.06A 3prsA-1v7vA:
undetectable		 3prsA-1v7vA:
18.09
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) 		6 ASP A  32
GLY A  34
GLY A  64
ASP A 212
THR A 215
ILE A 307
 None
 0.49A 3prsA-1wkrA:
35.6		 3prsA-1wkrA:
33.15
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 ASP A 111
ASP A 212
GLY A 214
ASP A  32
ILE A 104
 None
 1.11A 3prsA-1wkrA:
35.6		 3prsA-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.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 541
GLY A 621
ASP A 597
TYR A 631
ILE A 616
 None
 1.10A 3prsA-1ybwA:
undetectable		 3prsA-1ybwA:
23.26
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		9 ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 120
ASP A 218
THR A 221
TYR A 225
ILE A 305
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
None
A70  A 500 ( 2.3A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.83A 3prsA-1zapA:
36.4		 3prsA-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) 		7 ASP A  34
GLY A  36
GLY A  78
PHE A 192
ASP A 214
THR A 217
ILE A 300
 JE2  A3151 (-3.0A)
JE2  A3151 (-2.7A)
JE2  A3151 (-3.6A)
JE2  A3151 (-4.6A)
JE2  A3151 (-2.5A)
JE2  A3151 (-2.6A)
JE2  A3151 ( 4.5A)
 0.70A 3prsA-2anlA:
35.4		 3prsA-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
GLY A  36
ASP A 214
THR A 217
ILE A 300
 IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1331 ( 4.1A)
IH4  A1330 (-4.5A)
 0.20A 3prsA-2bjuA:
35.4		 3prsA-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.
2c4x ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00801
(PKD) 		5 ASP A  21
GLY A  46
ASP A  47
PHE A  11
ILE A  88
 None
 1.09A 3prsA-2c4xA:
undetectable		 3prsA-2c4xA:
22.75
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.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		5 ASP A 129
GLY A 140
GLY A  99
THR A 127
ILE A 142
 None
 1.13A 3prsA-2f9tA:
undetectable		 3prsA-2f9tA:
22.56
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		7 ASP A  32
GLY A  34
ASP A 120
ASP A 218
THR A 221
TYR A 225
ILE A 305
 None
 0.79A 3prsA-2h6tA:
35.2		 3prsA-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) 		8 ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 218
THR A 221
TYR A 225
ILE A 305
 None
 0.48A 3prsA-2h6tA:
35.2		 3prsA-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) 		5 ASP A 308
GLY A  34
ASP A 120
THR A 221
ILE A 305
 None
 1.11A 3prsA-2h6tA:
35.2		 3prsA-2h6tA:
27.60
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) 		8 ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 218
THR A 221
TYR A 225
ILE A 305
 None
 0.49A 3prsA-2qzwA:
36.2		 3prsA-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) 		8 ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 218
THR A 221
TYR A 225
ILE A 305
 None
 0.58A 3prsA-2qzxA:
36.0		 3prsA-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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 ASP A 738
ASP A 741
GLY A 748
ASP A 747
ASP A 734
 None
CA  A  26 (-2.3A)
None
CA  A  24 ( 3.1A)
CA  A  26 ( 2.8A)
 1.01A 3prsA-2rhpA:
undetectable		 3prsA-2rhpA:
17.77
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  40
ASP A  14
PHE A 210
THR A 240
ILE A 329
 None
 1.50A 3prsA-2rmpA:
37.9		 3prsA-2rmpA:
30.19
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) 		7 ASP A  38
GLY A  40
GLY A  83
PHE A 210
ASP A 237
THR A 240
ILE A 329
 None
 0.34A 3prsA-2rmpA:
37.9		 3prsA-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) 		5 ASP A  14
ASP A  33
GLY A  35
PHE A 190
ASP A 213
 None
PP6  A 327 ( 2.7A)
PP6  A 327 (-4.0A)
PP6  A 327 ( 4.8A)
PP6  A 327 ( 2.5A)
 1.14A 3prsA-2wedA:
47.9		 3prsA-2wedA:
54.19
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 ASP A  33
GLY A  35
GLY A  76
ASP A  77
ASP A 115
PHE A 190
ASP A 213
THR A 216
 PP6  A 327 ( 2.7A)
PP6  A 327 (-4.0A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.5A)
None
PP6  A 327 ( 4.8A)
PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
 0.42A 3prsA-2wedA:
47.9		 3prsA-2wedA:
54.19
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 ASP A  33
GLY A  35
GLY A  76
ASP A 115
PHE A 190
ASP A 213
THR A 216
ILE A 297
 PP6  A 327 ( 2.7A)
PP6  A 327 (-4.0A)
PP6  A 327 (-3.5A)
None
PP6  A 327 ( 4.8A)
PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
PP6  A 327 (-4.2A)
 0.47A 3prsA-2wedA:
47.9		 3prsA-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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		5 ASP A  57
ASP A 198
GLY A 197
ASP A 254
ASP A 196
 None
SAH  A 301 (-4.1A)
EDO  A 551 ( 3.7A)
None
SAH  A 301 ( 3.5A)
 1.11A 3prsA-2wk1A:
undetectable		 3prsA-2wk1A:
21.86
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.
2y6p 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Aquifex
aeolicus) 		PF02348
(CTP_transf_3) 		5 ASP A 219
ASP A  95
GLY A  94
GLY A  73
TYR A 170
 MG  A1234 ( 2.3A)
MG  A1234 ( 2.6A)
CTP  A1233 (-3.5A)
CTP  A1233 (-3.4A)
IPA  A1236 ( 4.0A)
 0.92A 3prsA-2y6pA:
undetectable		 3prsA-2y6pA:
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.
3bdi UNCHARACTERIZED
PROTEIN TA0194

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1)
PF12146
(Hydrolase_4) 		6 ASP A 201
GLY A 105
GLY A 126
PHE A  32
TYR A  56
ILE A  29
 None
 1.37A 3prsA-3bdiA:
undetectable		 3prsA-3bdiA:
20.49
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
GLY A  34
PHE A 189
ASP A 215
ILE A 301
 None
 1.19A 3prsA-3emyA:
51.8		 3prsA-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) 		10 ASP A  30
ASP A  32
GLY A  34
GLY A  76
ASP A  77
ASP A 114
PHE A 189
ASP A 215
THR A 218
ILE A 301
 None
 0.43A 3prsA-3emyA:
51.8		 3prsA-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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		5 ASP A 466
ASP A 469
GLY A 476
ASP A 475
ASP A 462
 None
CA  A 820 (-2.6A)
None
CA  A 823 ( 2.7A)
CA  A 819 ( 2.8A)
 1.01A 3prsA-3fbyA:
undetectable		 3prsA-3fbyA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcy XYLAN ESTERASE 1

(Thermoanaerobacterium
saccharolyticum) 		PF05448
(AXE1) 		5 GLY A 118
ASP A 125
ASP A 144
ASP A 157
ILE A  69
 None
 1.11A 3prsA-3fcyA:
undetectable		 3prsA-3fcyA:
20.64
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 ASP A  32
GLY A  34
GLY A  79
ASP A  80
ASP A 220
THR A 223
TYR A 227
ILE A 303
 None
None
GOL  A 341 (-4.5A)
None
None
None
GOL  A 341 ( 4.6A)
None
 0.46A 3prsA-3fv3A:
36.9		 3prsA-3fv3A:
30.77
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 ASP A  32
GLY A  34
GLY A  79
ASP A 114
ASP A 220
THR A 223
TYR A 227
ILE A 303
 None
None
GOL  A 341 (-4.5A)
None
None
None
GOL  A 341 ( 4.6A)
None
 0.87A 3prsA-3fv3A:
36.9		 3prsA-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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 GLY A 363
GLY A 379
ASP A 370
ASP A  64
ILE A  87
 None
 0.90A 3prsA-3gipA:
undetectable		 3prsA-3gipA:
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 ASP A 432
GLY A 367
GLY A 292
ASP A  97
PHE A 365
 ZN  A 601 (-2.6A)
None
None
None
None
 0.83A 3prsA-3icjA:
undetectable		 3prsA-3icjA:
19.92
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.
3ign DIGUANYLATE CYCLASE

(Marinobacter
hydrocarbonoclasticus) 		PF00990
(GGDEF) 		5 ASP A 158
GLY A 235
GLY A 209
TYR A 275
ILE A 194
 None
 1.14A 3prsA-3ignA:
undetectable		 3prsA-3ignA:
18.26
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.
3js6 UNCHARACTERIZED PARM
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 ASP A 321
ASP A 190
GLY A  12
ASP A  10
ASP A 169
 None
 1.10A 3prsA-3js6A:
undetectable		 3prsA-3js6A:
21.85
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.
3js6 UNCHARACTERIZED PARM
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 ASP A 321
GLY A 192
GLY A  12
ASP A  10
ASP A 169
 None
 1.11A 3prsA-3js6A:
undetectable		 3prsA-3js6A:
21.85
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 GLY A 349
GLY A 309
ASP A 352
THR A 304
TYR A  97
 None
 1.07A 3prsA-3ka7A:
undetectable		 3prsA-3ka7A:
22.75
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.
3kdj PROTEIN PHOSPHATASE
2C 56

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 GLY B 241
GLY B 260
ASP B 261
ASP B 317
ILE B 324
 None
 0.85A 3prsA-3kdjB:
undetectable		 3prsA-3kdjB:
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.
3llc PUTATIVE HYDROLASE

(Agrobacterium
vitis) 		PF12697
(Abhydrolase_6) 		5 ASP A  58
ASP A  72
GLY A  77
ASP A  48
THR A  50
 None
 0.96A 3prsA-3llcA:
undetectable		 3prsA-3llcA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n5l BINDING PROTEIN
COMPONENT OF ABC
PHOSPHONATE
TRANSPORTER

(Pseudomonas
aeruginosa) 		PF12974
(Phosphonate-bd) 		5 ASP A 147
GLY A 228
ASP A 229
THR A 151
ILE A 281
 None
None
UNL  A 401 ( 2.7A)
UNL  A 401 ( 3.7A)
None
 0.94A 3prsA-3n5lA:
undetectable		 3prsA-3n5lA:
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.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		5 ASP A 137
ASP A 135
GLY A 209
GLY A 116
PHE A 211
 MG  A 339 ( 2.5A)
GDD  A 340 (-3.2A)
GDD  A 340 (-3.5A)
None
None
 0.83A 3prsA-3o3pA:
undetectable		 3prsA-3o3pA:
21.95
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
 None
 0.71A 3prsA-3psgA:
34.7		 3prsA-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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
 006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
006  A 330 (-3.5A)
None
 0.30A 3prsA-3qs1A:
36.0		 3prsA-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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 ASP A 147
ASP A 146
GLY A 223
GLY A 153
ASP A 124
 ZN  A 350 ( 2.3A)
None
None
None
None
 1.12A 3prsA-3tc8A:
undetectable		 3prsA-3tc8A:
23.74
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		6 ASP A 667
GLY A 334
GLY A 416
ASP A 657
THR A 386
ILE A 697
 None
ADP  A2005 ( 4.2A)
None
None
ADP  A2005 (-3.8A)
None
 1.36A 3prsA-3ummA:
undetectable		 3prsA-3ummA:
13.95
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ASP A 452
GLY A 514
ASP A 446
ASP A 436
PHE A 563
 None
 1.13A 3prsA-3w3aA:
undetectable		 3prsA-3w3aA:
18.90
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.
3wev L-LYSINE 6-OXIDASE

(Marinomonas
mediterranea) 		no annotation 6 ASP A 219
ASP A 138
GLY A 140
GLY A 224
ASP A 223
ILE A 153
 None
 1.32A 3prsA-3wevA:
undetectable		 3prsA-3wevA:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aa9 CHYMOSIN

(Camelus
dromedarius) 		PF00026
(Asp) 		5 ASP A  34
GLY A  36
ASP A 216
THR A 219
ILE A 297
 None
None
GOL  A1334 (-3.5A)
None
GOL  A1334 (-4.2A)
 0.37A 3prsA-4aa9A:
35.8		 3prsA-4aa9A:
30.55
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 ASP A 215
ASP A 305
GLY A 306
PHE A 308
ILE A 272
 None
 1.13A 3prsA-4aefA:
undetectable		 3prsA-4aefA:
18.21
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ASP A1033
ASP A1069
GLY A1066
ASP A1028
THR A 966
 None
GOL  A2792 (-3.7A)
GOL  A2792 ( 3.8A)
GOL  A2792 (-3.4A)
GOL  A2792 (-3.5A)
 1.07A 3prsA-4aygA:
undetectable		 3prsA-4aygA:
16.10
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.
4egt MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 ASP A 531
GLY A 488
ASP A 338
THR A 273
ILE A 443
 None
 1.13A 3prsA-4egtA:
undetectable		 3prsA-4egtA:
25.06
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.
4gxp BETA-GLUCOSIDASE
CHIMERIC PROTEIN

(Thermotoga
maritima;
Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		5 GLY A 209
GLY A 225
ASP A 295
TYR A 263
ILE A 262
 None
 1.00A 3prsA-4gxpA:
undetectable		 3prsA-4gxpA:
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.
4hp4 EAG-LIKE K[+]
CHANNEL

(Drosophila
melanogaster) 		PF13426
(PAS_9) 		5 GLY A  47
GLY A  24
ASP A  23
ASP A  16
ASP A  46
 None
SO4  A 201 (-3.4A)
GOL  A 202 ( 2.6A)
None
None
 1.13A 3prsA-4hp4A:
undetectable		 3prsA-4hp4A:
16.46
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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		5 GLY A 261
GLY A 282
ASP A 283
ASP A 340
ILE A 347
 None
 0.99A 3prsA-4jndA:
undetectable		 3prsA-4jndA:
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ASP A 231
GLY A 217
ASP A 255
THR A 234
ILE A 238
 None
 0.99A 3prsA-4mo9A:
undetectable		 3prsA-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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLY A 507
GLY A 527
ASP A 556
TYR A 498
ILE A 484
 None
 0.91A 3prsA-4nsxA:
undetectable		 3prsA-4nsxA:
20.77
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 GLY A 220
GLY A 172
ASP A 176
PHE A 226
ILE A 194
 None
 0.92A 3prsA-4nwzA:
undetectable		 3prsA-4nwzA:
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.
4oic PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C) 		5 GLY B 280
GLY B 299
ASP B 300
ASP B 356
ILE B 363
 None
 0.85A 3prsA-4oicB:
undetectable		 3prsA-4oicB:
21.13
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.
4qaf LIPOCALIN-1

(Homo sapiens) 		PF00061
(Lipocalin) 		5 GLY A 112
GLY A  27
ASP A  25
TYR A  77
ILE A  80
 None
 1.06A 3prsA-4qafA:
undetectable		 3prsA-4qafA:
18.63
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.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 5 GLY A 105
ASP A 121
PHE A  84
THR A 101
ILE A  87
 None
 1.11A 3prsA-4r29A:
undetectable		 3prsA-4r29A:
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.
4r2g SURFACE PROTEIN
GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ASP E 279
GLY E 472
ASP E 275
PHE E 391
THR E 455
 NAG  E 512 (-4.3A)
None
None
None
None
 1.14A 3prsA-4r2gE:
undetectable		 3prsA-4r2gE:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8u GLOBIN B CHAIN
LINKER L1

(Glossoscolex
paulistus) 		PF00042
(Globin)
PF16915
(Eryth_link_C) 		5 ASP M  79
GLY M  92
GLY M  85
ASP M  84
ASP B  27
 None
None
None
CA  M 301 (-3.1A)
None
 1.07A 3prsA-4u8uM:
undetectable		 3prsA-4u8uM:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 ASP A  45
ASP A 115
ASP A 113
GLY A  86
PHE A 159
 None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.0A)
None
 1.13A 3prsA-4uy6A:
undetectable		 3prsA-4uy6A:
23.67
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.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		5 ASP A  48
ASP A 191
GLY A 190
GLY A 247
ASP A 189
 None
MVI  A 305 ( 2.7A)
SAH  A 301 ( 4.0A)
None
MG  A 304 (-2.5A)
 1.14A 3prsA-4x81A:
undetectable		 3prsA-4x81A:
20.23
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 ASP A  32
GLY A  34
GLY A  78
ASP A  79
ASP A 211
THR A 214
TYR A 218
ILE A 298
 None
 0.45A 3prsA-4y9wA:
36.7		 3prsA-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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ASP b 386
GLY b  89
GLY b  60
ASP b 378
ASP b  85
 None
 1.10A 3prsA-5gw5b:
undetectable		 3prsA-5gw5b:
22.89
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) 		10 ASP A  15
ASP A  33
ASP A  35
GLY A  37
ASP A 119
PHE A 194
ASP A 219
THR A 222
TYR A 226
ILE A 304
 PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 ( 4.0A)
61P  A 406 ( 4.9A)
None
61P  A 406 (-2.9A)
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
 0.64A 3prsA-5hctA:
58.2		 3prsA-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) 		11 ASP A  15
ASP A  33
ASP A  35
GLY A  37
GLY A  80
ASP A  81
PHE A 194
ASP A 219
THR A 222
TYR A 226
ILE A 304
 PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 ( 4.0A)
61P  A 406 (-4.1A)
61P  A 406 ( 2.8A)
None
61P  A 406 (-2.9A)
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
 0.34A 3prsA-5hctA:
58.2		 3prsA-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 6 ASP B  34
GLY B  36
GLY B  78
ASP B 214
THR B 217
ILE B 300
 None
 0.53A 3prsA-5i70B:
36.4		 3prsA-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.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 GLY A 202
GLY A 221
ASP A 291
TYR A 259
ILE A 258
 None
 1.08A 3prsA-5jbkA:
undetectable		 3prsA-5jbkA:
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 6 ASP A  36
GLY A  38
GLY A  80
ASP A 227
THR A 230
ILE A 313
 None
 0.47A 3prsA-5n7qA:
39.9		 3prsA-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
GLY A  82
ASP A 267
THR A 270
ILE A 357
 None
 0.57A 3prsA-5nfgA:
38.3		 3prsA-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 ASP A  15
ASP A  33
ASP A  35
GLY A  37
GLY A  80
ASP A  81
ASP A 119
PHE A 194
ASP A 219
THR A 222
TYR A 226
ILE A 304
 None
 0.46A 3prsA-5p60A:
58.1		 3prsA-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) 		6 ASP A  32
GLY A  34
GLY A  76
ASP A 215
THR A 218
ILE A 301
 None
 0.53A 3prsA-5pepA:
38.5		 3prsA-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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 5 ASP A  33
GLY A  35
ASP A 226
THR A 229
ILE A 315
 3UT  A 404 (-2.9A)
3UT  A 404 (-3.5A)
3UT  A 404 (-2.4A)
3UT  A 404 ( 4.8A)
None
 0.24A 3prsA-5ux4A:
37.5		 3prsA-5ux4A:
11.66
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 ASP A 678
GLY A 722
GLY A 362
ASP A 363
PHE A 738
 None
 1.14A 3prsA-5v1wA:
undetectable		 3prsA-5v1wA:
19.11
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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		5 ASP A 571
GLY A1533
ASP A 585
PHE A1390
TYR A1513
 None
 1.15A 3prsA-5xjyA:
undetectable		 3prsA-5xjyA:
9.60
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.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 5 ASP A  36
GLY A  38
ASP A 216
THR A 219
ILE A 302
 K95  A 401 ( 2.6A)
K95  A 401 ( 3.5A)
NA  A 403 ( 1.9A)
K95  A 401 (-3.8A)
None
 0.38A 3prsA-5yidA:
36.1		 3prsA-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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE

(Legionella
pneumophila) 		no annotation 5 ASP A  27
GLY A 223
GLY A  18
ASP A  22
ILE A 266
 None
 1.16A 3prsA-6bs7A:
undetectable		 3prsA-6bs7A:
12.54
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 5 ASP B1004
ASP B 715
GLY B 997
ASP B 998
ILE B1011
 None
 1.12A 3prsA-6exvB:
undetectable		 3prsA-6exvB:
13.33
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 GLY A 603
GLY A 429
THR A 434
TYR A 400
ILE A 408
 None
 1.15A 3prsA-6fn1A:
undetectable		 3prsA-6fn1A:
11.18