SIMILAR PATTERNS OF AMINO ACIDS FOR 3TNE_A_RITA401_1

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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 None
 0.39A 3tneA-1am5A:
34.7		 3tneA-1am5A:
27.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ILE A  30
ASP A  32
GLY A  34
GLY A  76
ASP A 215
 None
 0.69A 3tneA-1am5A:
34.7		 3tneA-1am5A:
27.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
 0.68A 3tneA-1am5A:
34.7		 3tneA-1am5A:
27.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		6 ILE A  30
ASP A  32
GLY A  34
ASP A   9
ASP A 215
ILE B 300
 None
 1.43A 3tneA-1b5fA:
22.9		 3tneA-1b5fA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		7 ILE A  30
ASP A  32
GLY A  34
ILE A  73
GLY A  76
ASP A 215
ILE B 300
 None
 0.43A 3tneA-1b5fA:
22.9		 3tneA-1b5fA:
24.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		6 ASP E  32
GLY E  34
ILE E  73
GLY E  76
ASP E 215
ILE E 300
 None
 0.41A 3tneA-1cziE:
36.7		 3tneA-1cziE:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		6 ILE E 120
ASP E  32
GLY E  34
GLY E  76
ASP E 215
ILE E 300
 None
 1.33A 3tneA-1cziE:
36.7		 3tneA-1cziE:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ILE E 213
ASP E 215
GLY E 217
ASP E  32
ILE E 120
 None
 0.70A 3tneA-1cziE:
36.7		 3tneA-1cziE:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ILE E 213
ASP E 215
GLY E 217
GLY E  76
ASP E  32
 None
 0.76A 3tneA-1cziE:
36.7		 3tneA-1cziE:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 None
 0.55A 3tneA-1g0vA:
35.3		 3tneA-1g0vA:
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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		5 ILE B 215
ASP B 217
GLY B 219
ASP B  32
ILE B 120
 None
 0.79A 3tneA-1htrB:
29.9		 3tneA-1htrB:
28.57
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.
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)
 0.78A 3tneA-1hvcA:
10.6		 3tneA-1hvcA:
22.65
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) 		7 ASP A  32
GLY A  34
ILE A  72
GLY A  75
ASP A 114
ASP A 214
ILE A 299
 ZN  A1457 (-1.9A)
ZN  A1457 (-3.6A)
None
None
None
ZN  A1457 (-1.9A)
None
 0.91A 3tneA-1ibqA:
35.5		 3tneA-1ibqA:
31.69
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) 		7 ASP A  32
GLY A  34
ILE A  72
GLY A  75
SER A  78
ASP A 214
ILE A 299
 ZN  A1457 (-1.9A)
ZN  A1457 (-3.6A)
None
None
None
ZN  A1457 (-1.9A)
None
 0.68A 3tneA-1ibqA:
35.5		 3tneA-1ibqA:
31.69
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 ASP A  33
GLY A  35
ILE A  73
GLY A  76
ASP A  77
SER A  79
ASP A 214
ILE A 297
 None
 0.32A 3tneA-1izeA:
35.8		 3tneA-1izeA:
30.28
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
ILE A  82
GLY A  85
ASP A  86
ASP A 218
TYR A 225
ILE A 298
 None
None
None
EOH  A 575 (-4.0A)
None
None
EOH  A 575 ( 4.0A)
None
 0.46A 3tneA-1j71A:
49.5		 3tneA-1j71A:
54.62
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 GLY A  34
ILE A  82
GLY A  85
ASP A  86
ASP A 120
ASP A 218
TYR A 225
ILE A 298
 None
None
EOH  A 575 (-4.0A)
None
None
None
EOH  A 575 ( 4.0A)
None
 0.77A 3tneA-1j71A:
49.5		 3tneA-1j71A:
54.62
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 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 218
TYR A 225
ILE A 298
 None
None
None
EOH  A 575 (-4.0A)
None
None
EOH  A 575 ( 4.0A)
None
 1.16A 3tneA-1j71A:
49.5		 3tneA-1j71A:
54.62
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 ILE A 123
GLY A  34
GLY A  85
ASP A  86
ASP A 120
ASP A 218
TYR A 225
ILE A 298
 None
None
EOH  A 575 (-4.0A)
None
None
None
EOH  A 575 ( 4.0A)
None
 1.36A 3tneA-1j71A:
49.5		 3tneA-1j71A:
54.62
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		6 ASP A  32
GLY A  34
ASP A   9
ASN A 128
ASP A 215
ILE A 300
 None
 1.46A 3tneA-1mppA:
37.5		 3tneA-1mppA:
29.87
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		7 ASP A  32
GLY A  34
ILE A  73
GLY A  76
ASN A 128
ASP A 215
ILE A 300
 None
 0.49A 3tneA-1mppA:
37.5		 3tneA-1mppA:
29.87
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		6 ILE A 120
ASP A  32
GLY A  34
GLY A  76
ASP A 215
ILE A 300
 None
 1.37A 3tneA-1mppA:
37.5		 3tneA-1mppA:
29.87
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		6 ILE A  34
ASP A  36
GLY A  38
ILE A  78
ASP A 223
ILE A 221
 None
 1.36A 3tneA-1qdmA:
34.6		 3tneA-1qdmA:
25.36
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		6 ILE A  34
ASP A  36
GLY A  38
ILE A  78
ASP A 223
ILE A 312
 None
 0.54A 3tneA-1qdmA:
34.6		 3tneA-1qdmA:
25.36
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		5 ILE A 221
ASP A 223
GLY A 225
ASP A  36
ILE A 125
 None
 0.64A 3tneA-1qdmA:
34.6		 3tneA-1qdmA:
25.36
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
ILE E  73
GLY E  76
ASP E 215
ILE E 300
 HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
None
HH0  E 327 (-3.2A)
HH0  E 327 (-2.5A)
None
 0.50A 3tneA-1qrpE:
37.4		 3tneA-1qrpE:
30.19
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 ILE E 213
ASP E 215
GLY E 217
ASP E  32
ILE E 120
 None
HH0  E 327 (-2.5A)
HH0  E 327 (-3.5A)
HH0  E 327 (-2.7A)
None
 0.54A 3tneA-1qrpE:
37.4		 3tneA-1qrpE:
30.19
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 ILE E 213
ASP E 215
GLY E 217
GLY E  76
ASP E  32
 None
HH0  E 327 (-2.5A)
HH0  E 327 (-3.5A)
HH0  E 327 (-3.2A)
HH0  E 327 (-2.7A)
 0.74A 3tneA-1qrpE:
37.4		 3tneA-1qrpE:
30.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		6 ASP A  34
GLY A  36
ILE A  75
GLY A  78
ASP A 214
ILE A 300
 None
 0.57A 3tneA-1qs8A:
34.9		 3tneA-1qs8A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		6 ILE A  32
ASP A  34
GLY A  36
GLY A  78
ASP A 214
ILE A 300
 None
 0.42A 3tneA-1qs8A:
34.9		 3tneA-1qs8A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		6 ILE A 123
ASP A  34
GLY A  36
GLY A  78
ASP A 214
ILE A 300
 None
 1.36A 3tneA-1qs8A:
34.9		 3tneA-1qs8A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 ILE A 212
ASP A 214
GLY A 216
ASP A  34
ILE A 123
 None
 0.69A 3tneA-1qs8A:
34.9		 3tneA-1qs8A:
30.03
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		6 ILE A  30
ASP A  32
GLY A  34
ILE A  73
GLY A  76
ASP A 215
 None
 0.53A 3tneA-1smrA:
35.8		 3tneA-1smrA:
29.09
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 ILE A  41
ASP A  43
GLY A  45
ASP A 228
ILE A 316
 None
 0.29A 3tneA-1tzsA:
33.8		 3tneA-1tzsA:
33.87
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 ILE A 226
ASP A 228
GLY A 230
ASP A  43
ILE A 131
 None
 0.65A 3tneA-1tzsA:
33.8		 3tneA-1tzsA:
33.87
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  35
GLY A  37
ILE A  75
GLY A  78
ASP A  79
SER A  81
ASP A 218
ILE A 298
 None
 0.53A 3tneA-1uh9A:
38.9		 3tneA-1uh9A:
30.99
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  32
GLY A  34
GLY A  64
ASP A 212
ILE A 307
 None
 0.40A 3tneA-1wkrA:
35.3		 3tneA-1wkrA:
32.44
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 ILE A 210
ASP A 212
GLY A 214
ASP A  32
ILE A 104
 None
 0.58A 3tneA-1wkrA:
35.3		 3tneA-1wkrA:
32.44
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 ILE A 210
ASP A 212
GLY A 214
GLY A  64
ASP A  32
 None
 0.82A 3tneA-1wkrA:
35.3		 3tneA-1wkrA:
32.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		11 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
ASP A  86
SER A  88
ASN A 131
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.60A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		11 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
SER A  88
ASP A 120
ASN A 131
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
None
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.73A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		9 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ASP A  86
SER A  88
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.8A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 1.20A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		9 ILE A 123
ASP A  32
GLY A  34
GLY A  85
SER A  88
ASP A 120
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.8A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
None
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 1.37A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		7 ILE A  32
ASP A  34
GLY A  36
ILE A  75
GLY A  78
ASP A 214
ILE A 300
 None
JE2  A3151 (-3.0A)
JE2  A3151 (-2.7A)
None
JE2  A3151 (-3.6A)
JE2  A3151 (-2.5A)
JE2  A3151 ( 4.5A)
 0.61A 3tneA-2anlA:
34.1		 3tneA-2anlA:
29.63
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		6 ILE A 123
ASP A  34
GLY A  36
GLY A  78
ASP A 214
ILE A 300
 None
JE2  A3151 (-3.0A)
JE2  A3151 (-2.7A)
JE2  A3151 (-3.6A)
JE2  A3151 (-2.5A)
JE2  A3151 ( 4.5A)
 1.48A 3tneA-2anlA:
34.1		 3tneA-2anlA:
29.63
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ILE A  32
ASP A  34
GLY A  36
ASP A 214
ILE A 300
 IH4  A1330 (-4.1A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1330 (-4.5A)
 0.28A 3tneA-2bjuA:
33.6		 3tneA-2bjuA:
23.54
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ILE A 212
ASP A 214
GLY A 216
ASP A  34
ILE A 123
 IH4  A1330 ( 4.0A)
IH4  A1330 (-3.3A)
IH4  A1330 ( 4.3A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.4A)
 0.80A 3tneA-2bjuA:
33.6		 3tneA-2bjuA:
23.54
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 ILE A 239
ASP A 241
GLY A 243
ASP A  48
ILE A 134
 None
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
DBO  A1001 (-2.7A)
None
 0.77A 3tneA-2ewyA:
33.1		 3tneA-2ewyA:
26.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		9 ASP A  32
GLY A  34
ILE A  82
GLY A  85
ASP A  86
ASP A 120
ASP A 218
TYR A 225
ILE A 305
 None
 0.42A 3tneA-2h6tA:
47.6		 3tneA-2h6tA:
53.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		9 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 120
ASP A 218
TYR A 225
ILE A 305
 None
 1.26A 3tneA-2h6tA:
47.6		 3tneA-2h6tA:
53.71
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) 		10 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
ASP A  86
SER A  88
ASP A 218
TYR A 225
ILE A 305
 None
 0.63A 3tneA-2qzwA:
48.3		 3tneA-2qzwA:
52.69
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) 		10 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
SER A  88
ASN A 131
ASP A 218
TYR A 225
ILE A 305
 None
 0.59A 3tneA-2qzwA:
48.3		 3tneA-2qzwA:
52.69
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) 		9 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ASP A  86
SER A  88
ASP A 218
TYR A 225
ILE A 305
 None
 1.24A 3tneA-2qzwA:
48.3		 3tneA-2qzwA:
52.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		10 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
ASP A  86
SER A  88
ASP A 218
TYR A 225
ILE A 305
 None
 0.53A 3tneA-2qzxA:
47.6		 3tneA-2qzxA:
46.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		9 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ASP A  86
SER A  88
ASP A 218
TYR A 225
ILE A 305
 None
 1.33A 3tneA-2qzxA:
47.6		 3tneA-2qzxA:
46.15
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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		6 ASP A  38
GLY A  40
ASP A  14
ASN A 140
ASP A 237
ILE A 329
 None
 1.46A 3tneA-2rmpA:
38.0		 3tneA-2rmpA:
28.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		7 ASP A  38
GLY A  40
ILE A  80
GLY A  83
ASN A 140
ASP A 237
ILE A 329
 None
 0.46A 3tneA-2rmpA:
38.0		 3tneA-2rmpA:
28.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		8 ASP A  33
GLY A  35
ILE A  73
GLY A  76
ASP A  77
SER A  79
ASP A 213
ILE A 297
 PP6  A 327 ( 2.7A)
PP6  A 327 (-4.0A)
None
PP6  A 327 (-3.5A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.4A)
PP6  A 327 ( 2.5A)
PP6  A 327 (-4.2A)
 0.47A 3tneA-2wedA:
35.7		 3tneA-2wedA:
29.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		7 ASP A  33
GLY A  35
ILE A  73
GLY A  76
ASP A 115
ASP A 213
ILE A 297
 PP6  A 327 ( 2.7A)
PP6  A 327 (-4.0A)
None
PP6  A 327 (-3.5A)
None
PP6  A 327 ( 2.5A)
PP6  A 327 (-4.2A)
 0.90A 3tneA-2wedA:
35.7		 3tneA-2wedA:
29.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ILE A 211
ASP A 213
GLY A 215
GLY A  76
ASP A  33
 None
PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
PP6  A 327 (-3.5A)
PP6  A 327 ( 2.7A)
 0.81A 3tneA-2wedA:
35.7		 3tneA-2wedA:
29.78
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  32
GLY A  34
ILE A  73
GLY A  76
ASP A  77
SER A  79
ASP A 114
ASP A 215
ILE A 301
 None
 0.89A 3tneA-3emyA:
35.7		 3tneA-3emyA:
31.28
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) 		12 ILE A  30
ASP A  32
GLY A  34
ILE A  76
GLY A  79
ASP A  80
SER A  82
ASP A 114
ASN A 125
ASP A 220
TYR A 227
ILE A 303
 None
None
None
None
GOL  A 341 (-4.5A)
None
None
None
None
None
GOL  A 341 ( 4.6A)
None
 0.42A 3tneA-3fv3A:
55.9		 3tneA-3fv3A:
100.00
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) 		10 ILE A 117
ASP A  32
GLY A  34
GLY A  79
ASP A  80
SER A  82
ASP A 114
ASP A 220
TYR A 227
ILE A 303
 None
None
None
GOL  A 341 (-4.5A)
None
None
None
None
GOL  A 341 ( 4.6A)
None
 1.29A 3tneA-3fv3A:
55.9		 3tneA-3fv3A:
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 None
 0.41A 3tneA-3psgA:
33.6		 3tneA-3psgA:
27.30
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
 0.69A 3tneA-3psgA:
33.6		 3tneA-3psgA:
27.30
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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
None
 0.37A 3tneA-3qs1A:
34.9		 3tneA-3qs1A:
28.37
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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
006  A 330 (-2.8A)
006  A 330 (-3.4A)
006  A 330 (-2.8A)
006  A 330 ( 4.8A)
 0.78A 3tneA-3qs1A:
34.9		 3tneA-3qs1A:
28.37
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.
3wev L-LYSINE 6-OXIDASE

(Marinomonas
mediterranea) 		no annotation 6 ILE A 136
ASP A 138
GLY A 140
GLY A 224
ASP A 223
ILE A 153
 None
 1.10A 3tneA-3wevA:
undetectable		 3tneA-3wevA:
17.98
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
ILE A  75
ASP A 216
ILE A 297
 None
None
SO4  A1332 (-4.4A)
GOL  A1334 (-3.5A)
GOL  A1334 (-4.2A)
 0.54A 3tneA-4aa9A:
33.2		 3tneA-4aa9A:
31.11
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 ILE A 214
ASP A 216
GLY A 218
ASP A  34
ILE A 122
 None
GOL  A1334 (-3.5A)
None
None
None
 0.63A 3tneA-4aa9A:
33.2		 3tneA-4aa9A:
31.11
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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		6 GLY A 261
GLY A 282
ASP A 283
SER A 284
ASP A 340
ILE A 347
 None
 1.27A 3tneA-4jndA:
undetectable		 3tneA-4jndA:
21.56
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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		6 GLY A 282
ASP A 283
SER A 284
ASP A 415
ASP A 340
ILE A 347
 None
None
None
MG  A 501 (-2.6A)
None
None
 1.20A 3tneA-4jndA:
undetectable		 3tneA-4jndA:
21.56
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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		6 GLY A 339
GLY A 282
SER A 284
ASP A 177
ASP A 340
ILE A 347
 None
None
None
MG  A 501 ( 4.8A)
None
None
 1.48A 3tneA-4jndA:
undetectable		 3tneA-4jndA:
21.56
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 ILE A 226
ASP A 228
GLY A 230
ASP A  32
ILE A 118
 None
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-2.8A)
3LL  A 501 (-4.6A)
 0.67A 3tneA-4rcdA:
32.6		 3tneA-4rcdA:
24.88
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) 		9 ASP A  32
GLY A  34
ILE A  75
GLY A  78
ASP A  79
SER A  81
ASP A 211
TYR A 218
ILE A 298
 None
 0.33A 3tneA-4y9wA:
49.0		 3tneA-4y9wA:
58.02
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) 		9 ILE A 116
ASP A  32
GLY A  34
GLY A  78
ASP A  79
SER A  81
ASP A 211
TYR A 218
ILE A 298
 None
 1.22A 3tneA-4y9wA:
49.0		 3tneA-4y9wA:
58.02
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		6 ILE A  95
GLY A 172
ILE A 112
GLY A 107
ASP A 106
ASP A 100
 None
 1.12A 3tneA-4yyfA:
undetectable		 3tneA-4yyfA:
20.15
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		10 ASP A  35
GLY A  37
ILE A  77
GLY A  80
ASP A  81
SER A  83
ASP A 119
ASP A 219
TYR A 226
ILE A 304
 61P  A 406 (-2.7A)
61P  A 406 ( 4.0A)
None
61P  A 406 (-4.1A)
61P  A 406 ( 2.8A)
61P  A 406 (-3.0A)
61P  A 406 ( 4.9A)
61P  A 406 (-2.9A)
61P  A 406 (-4.0A)
None
 0.86A 3tneA-5hctA:
36.7		 3tneA-5hctA:
26.44
Potential target for repurposing, i.e. matched protein structure has less than 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
ILE B  75
GLY B  78
ASP B 214
ILE B 300
 None
 0.64A 3tneA-5i70B:
34.9		 3tneA-5i70B:
29.53
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 6 ILE B  32
ASP B  34
GLY B  36
GLY B  78
ASP B 214
ILE B 300
 None
 0.50A 3tneA-5i70B:
34.9		 3tneA-5i70B:
29.53
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 6 ILE B 123
ASP B  34
GLY B  36
GLY B  78
ASP B 214
ILE B 300
 None
 1.36A 3tneA-5i70B:
34.9		 3tneA-5i70B:
29.53
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.
5mkt RENIN-1

(Mus musculus) 		no annotation 5 ILE A  79
ASP A  81
GLY A  83
ILE A 124
ASP A 266
 None
 0.53A 3tneA-5mktA:
31.0		 3tneA-5mktA:
14.47
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 ILE A  79
ASP A  81
GLY A  83
ILE A 124
ASP A 266
 None
 0.43A 3tneA-5mlgA:
34.8		 3tneA-5mlgA:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 6 ILE A  34
ASP A  36
GLY A  38
ILE A  77
ASP A 227
ILE A 225
 None
 1.45A 3tneA-5n7qA:
37.4		 3tneA-5n7qA:
13.27
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 7 ILE A  34
ASP A  36
GLY A  38
ILE A  77
GLY A  80
ASP A 227
ILE A 313
 None
 0.57A 3tneA-5n7qA:
37.4		 3tneA-5n7qA:
13.27
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 5 ILE A 225
ASP A 227
GLY A 229
ASP A  36
ILE A 124
 None
 0.69A 3tneA-5n7qA:
37.4		 3tneA-5n7qA:
13.27
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 5 ILE A 225
ASP A 227
GLY A 229
GLY A  80
ASP A  36
 None
 0.76A 3tneA-5n7qA:
37.4		 3tneA-5n7qA:
13.27
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 6 ILE A  78
ASP A  80
GLY A  82
ILE A 122
ASP A 267
ILE A 357
 None
 0.55A 3tneA-5nfgA:
35.2		 3tneA-5nfgA:
27.47
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ILE A 265
ASP A 267
GLY A 269
ASP A  80
ILE A 169
 None
 0.75A 3tneA-5nfgA:
35.2		 3tneA-5nfgA:
27.47
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) 		9 ASP A  35
GLY A  37
ILE A  77
GLY A  80
ASP A  81
ASP A 119
ASP A 219
TYR A 226
ILE A 304
 None
 0.86A 3tneA-5p60A:
36.7		 3tneA-5p60A:
30.77
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) 		9 ASP A  35
GLY A  37
ILE A  77
GLY A  80
ASP A  81
SER A  83
ASP A 219
TYR A 226
ILE A 304
 None
 0.43A 3tneA-5p60A:
36.7		 3tneA-5p60A:
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.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		7 ILE A  30
ASP A  32
GLY A  34
ILE A  73
GLY A  76
ASP A 215
ILE A 301
 None
 0.65A 3tneA-5pepA:
37.0		 3tneA-5pepA:
28.97
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.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		5 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
 0.61A 3tneA-5pepA:
37.0		 3tneA-5pepA:
28.97
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.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		5 ILE A 213
ASP A 215
GLY A 217
GLY A  76
ASP A  32
 None
 0.77A 3tneA-5pepA:
37.0		 3tneA-5pepA:
28.97
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 5 ILE A 224
ASP A 226
GLY A 228
ASP A  33
ILE A 129
 None
3UT  A 404 (-2.4A)
3UT  A 404 (-3.1A)
3UT  A 404 (-2.9A)
None
 0.64A 3tneA-5ux4A:
36.4		 3tneA-5ux4A:
12.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 5 ILE A  34
ASP A  36
GLY A  38
ASP A 216
ILE A 302
 K95  A 401 ( 4.0A)
K95  A 401 ( 2.6A)
K95  A 401 ( 3.5A)
NA  A 403 ( 1.9A)
None
 0.45A 3tneA-5yidA:
34.4		 3tneA-5yidA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 6 ILE A  34
ASP A  36
GLY A  38
GLY A 304
ASP A 305
SER A 220
 K95  A 401 ( 4.0A)
K95  A 401 ( 2.6A)
K95  A 401 ( 3.5A)
None
None
K95  A 401 (-3.3A)
 1.19A 3tneA-5yidA:
34.4		 3tneA-5yidA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 5 ILE A  34
ASP A  36
GLY A  38
SER A  81
ASP A 216
 K95  A 401 ( 4.0A)
K95  A 401 ( 2.6A)
K95  A 401 ( 3.5A)
K95  A 401 ( 2.4A)
NA  A 403 ( 1.9A)
 0.59A 3tneA-5yidA:
34.4		 3tneA-5yidA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 6 ILE A  78
ASP A  80
GLY A  82
SER A 143
ASP A 313
ILE A 439
 EQG  A 504 ( 3.8A)
EQG  A 504 (-2.5A)
EQG  A 504 (-3.0A)
EQG  A 504 ( 4.3A)
EQG  A 504 (-2.1A)
EQG  A 504 (-4.3A)
 0.65A 3tneA-6c4gA:
30.7		 3tneA-6c4gA:
12.76
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 ILE A 635
ASP A 637
GLY A 639
ASP A 441
ILE A 527
 None
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-2.9A)
B7E  A 901 (-4.4A)
 0.64A 3tneA-6ej2A:
32.2		 3tneA-6ej2A:
11.68