SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q70_A_RITA2001_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)
6 ILE A  30
ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
None
0.37A 3q70A-1am5A:
10.3
3q70A-1am5A:
29.30
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.
1am5 PEPSIN

(Gadus morhua)
PF00026
(Asp)
5 ILE A  30
ASP A  32
GLY A  34
GLY A  76
ASP A 215
None
0.47A 3q70A-1am5A:
10.3
3q70A-1am5A:
29.30
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.
1am5 PEPSIN

(Gadus morhua)
PF00026
(Asp)
6 ILE A 213
ASP A 215
GLY A 217
GLU A  13
ASP A  32
ILE A 120
None
0.80A 3q70A-1am5A:
10.3
3q70A-1am5A:
29.30
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus)
PF00026
(Asp)
7 ILE A  30
ASP A  32
GLY A  34
GLY A  76
ASP A 215
THR A 218
ILE B 300
None
0.41A 3q70A-1b5fA:
23.3
3q70A-1b5fA:
25.78
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus)
PF00026
(Asp)
6 ILE A 120
ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE B 300
None
1.17A 3q70A-1b5fA:
23.3
3q70A-1b5fA:
25.78
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus)
PF00026
(Asp)
6 ILE A 120
ASP A  32
ILE A  73
ASP A 215
THR A 218
ILE B 300
None
1.29A 3q70A-1b5fA:
23.3
3q70A-1b5fA:
25.78
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)
7 ILE E 120
ASP E  32
GLY E  34
GLY E  76
ASP E 215
THR E 218
ILE E 300
None
1.30A 3q70A-1cziE:
13.0
3q70A-1cziE:
31.74
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
0.59A 3q70A-1cziE:
13.0
3q70A-1cziE:
31.74
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
0.60A 3q70A-1g0vA:
35.0
3q70A-1g0vA:
33.07
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
THR A 218
None
0.68A 3q70A-1g0vA:
35.0
3q70A-1g0vA:
33.07
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
0.50A 3q70A-1htrB:
12.7
3q70A-1htrB:
31.40
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.
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)
0.55A 3q70A-1hvcA:
10.0
3q70A-1hvcA:
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.
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)
0.61A 3q70A-1hvcA:
10.0
3q70A-1hvcA:
21.66
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  32
GLY A  34
GLY A  75
ASP A 214
THR A 217
ILE A 299
ZN  A1457 (-1.9A)
ZN  A1457 (-3.6A)
None
ZN  A1457 (-1.9A)
None
None
0.42A 3q70A-1ibqA:
13.1
3q70A-1ibqA:
30.19
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)
5 ILE A 212
ASP A 214
GLY A 216
GLY A  75
ASP A  32
None
ZN  A1457 (-1.9A)
ZN  A1457 ( 3.7A)
None
ZN  A1457 (-1.9A)
0.64A 3q70A-1ibqA:
13.1
3q70A-1ibqA:
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae)
PF00026
(Asp)
6 ASP A  33
GLY A  35
GLY A  76
ASP A 214
THR A 217
ILE A 297
None
0.26A 3q70A-1izeA:
12.8
3q70A-1izeA:
27.67
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae)
PF00026
(Asp)
6 ILE A 212
ASP A 214
GLY A 216
ILE A 293
GLU A  16
ASP A  33
None
0.79A 3q70A-1izeA:
12.8
3q70A-1izeA:
27.67
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
GLU A 194
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
0.49A 3q70A-1j71A:
50.5
3q70A-1j71A:
62.57
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 218
THR A 221
TYR A 225
ILE A 298
None
None
None
EOH  A 575 (-4.0A)
None
EOH  A 575 ( 4.4A)
EOH  A 575 ( 4.0A)
None
1.12A 3q70A-1j71A:
50.5
3q70A-1j71A:
62.57
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.
1mpp PEPSIN

(Rhizomucor
pusillus)
PF00026
(Asp)
7 ASP A  32
GLY A  34
GLY A  76
ASN A 128
ASP A 215
THR A 218
ILE A 300
None
0.30A 3q70A-1mppA:
11.1
3q70A-1mppA:
29.79
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare)
PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1)
5 ILE A  34
ASP A  36
GLY A  38
ASP A 223
ILE A 312
None
0.55A 3q70A-1qdmA:
8.0
3q70A-1qdmA:
27.88
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare)
PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1)
5 ILE A  34
ASP A  36
GLY A  38
ASP A 223
THR A 226
None
0.65A 3q70A-1qdmA:
8.0
3q70A-1qdmA:
27.88
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.
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
0.67A 3q70A-1qdmA:
8.0
3q70A-1qdmA:
27.88
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.
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
0.31A 3q70A-1qrpE:
13.1
3q70A-1qrpE:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens)
PF00026
(Asp)
6 ILE E 120
ASP E  32
GLY E  34
ASP E 215
THR E 218
ILE E 300
None
HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.7A)
None
1.21A 3q70A-1qrpE:
13.1
3q70A-1qrpE:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens)
PF00026
(Asp)
6 ILE E 120
ASP E  32
ILE E  73
ASP E 215
THR E 218
ILE E 300
None
HH0  E 327 (-2.7A)
None
HH0  E 327 (-2.5A)
HH0  E 327 (-3.7A)
None
1.33A 3q70A-1qrpE:
13.1
3q70A-1qrpE:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens)
PF00026
(Asp)
6 ILE E 213
ASP E 215
GLY E 217
GLY E  76
ASP E  32
ILE E 120
None
HH0  E 327 (-2.5A)
HH0  E 327 (-3.5A)
HH0  E 327 (-3.2A)
HH0  E 327 (-2.7A)
None
0.74A 3q70A-1qrpE:
13.1
3q70A-1qrpE:
29.89
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)
7 ILE A  32
ASP A  34
GLY A  36
GLY A  78
ASP A 214
THR A 217
ILE A 300
None
0.38A 3q70A-1qs8A:
12.0
3q70A-1qs8A:
30.08
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
ASP A 214
THR A 217
ILE A 300
None
1.15A 3q70A-1qs8A:
12.0
3q70A-1qs8A:
30.08
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
ILE A  75
ASP A 214
THR A 217
ILE A 300
None
1.37A 3q70A-1qs8A:
12.0
3q70A-1qs8A:
30.08
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
GLY A  78
ASP A  34
None
0.70A 3q70A-1qs8A:
12.0
3q70A-1qs8A:
30.08
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 212
ASP A 214
GLY A 216
ILE A 294
ASP A  34
ILE A 123
None
0.84A 3q70A-1qs8A:
12.0
3q70A-1qs8A:
30.08
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.
1smr RENIN

(Mus musculus)
PF00026
(Asp)
5 ILE A  30
ASP A  32
GLY A  34
GLY A  76
ASP A 215
None
0.57A 3q70A-1smrA:
10.8
3q70A-1smrA:
26.90
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 ILE A  41
ASP A  43
GLY A  45
ASP A 228
THR A 231
ILE A 316
None
0.32A 3q70A-1tzsA:
11.8
3q70A-1tzsA:
31.82
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 ILE A 131
ASP A  43
GLY A  45
ASP A 228
THR A 231
ILE A 316
None
1.16A 3q70A-1tzsA:
11.8
3q70A-1tzsA:
31.82
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 ILE A 226
ASP A 228
GLY A 230
ILE A 307
ASP A  43
ILE A 131
None
0.73A 3q70A-1tzsA:
11.8
3q70A-1tzsA:
31.82
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 ASP A  35
GLY A  37
GLY A  78
ASP A 218
THR A 221
ILE A 298
None
0.37A 3q70A-1uh9A:
38.2
3q70A-1uh9A:
33.05
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)
5 ILE A 216
ASP A 218
GLY A 220
GLY A  78
ASP A  35
None
0.69A 3q70A-1uh9A:
38.2
3q70A-1uh9A:
33.05
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
0.30A 3q70A-1wkrA:
34.2
3q70A-1wkrA:
30.38
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
0.60A 3q70A-1wkrA:
34.2
3q70A-1wkrA:
30.38
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
0.65A 3q70A-1wkrA:
34.2
3q70A-1wkrA:
30.38
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)
12 ILE A  30
ASP A  32
GLY A  34
GLY A  85
SER A  88
ILE A 119
ASN A 131
GLU A 193
ASP A 218
THR A 221
TYR A 225
ILE A 305
A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
A70  A 500 (-3.9A)
A70  A 500 (-3.8A)
A70  A 500 (-4.4A)
A70  A 500 ( 2.3A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
0.48A 3q70A-1zapA:
54.1
3q70A-1zapA:
97.66
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)
10 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ILE A 119
GLU A 193
ASP A 218
THR A 221
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 (-3.9A)
A70  A 500 (-4.4A)
A70  A 500 ( 2.3A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
1.19A 3q70A-1zapA:
54.1
3q70A-1zapA:
97.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2anl PLASMEPSIN IV

(Plasmodium
malariae)
PF00026
(Asp)
6 ASP A 214
GLY A 216
GLY A  78
ILE A 294
ASP A  34
ILE A 123
JE2  A3151 (-2.5A)
JE2  A3151 ( 3.9A)
JE2  A3151 (-3.6A)
JE2  A3151 ( 4.8A)
JE2  A3151 (-3.0A)
None
0.83A 3q70A-2anlA:
11.5
3q70A-2anlA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2anl PLASMEPSIN IV

(Plasmodium
malariae)
PF00026
(Asp)
6 ILE A  32
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)
0.48A 3q70A-2anlA:
11.5
3q70A-2anlA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2anl PLASMEPSIN IV

(Plasmodium
malariae)
PF00026
(Asp)
6 ILE A  32
ASP A  34
GLY A  36
GLY A  78
ASP A 214
THR A 217
None
JE2  A3151 (-3.0A)
JE2  A3151 (-2.7A)
JE2  A3151 (-3.6A)
JE2  A3151 (-2.5A)
JE2  A3151 (-2.6A)
0.52A 3q70A-2anlA:
11.5
3q70A-2anlA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2anl PLASMEPSIN IV

(Plasmodium
malariae)
PF00026
(Asp)
6 ILE A 212
ASP A 214
GLY A 216
GLY A  78
ILE A 294
ASP A  34
None
JE2  A3151 (-2.5A)
JE2  A3151 ( 3.9A)
JE2  A3151 (-3.6A)
JE2  A3151 ( 4.8A)
JE2  A3151 (-3.0A)
0.74A 3q70A-2anlA:
11.5
3q70A-2anlA:
30.58
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum)
PF00026
(Asp)
6 ILE A  32
ASP A  34
GLY A  36
ASP A 214
THR A 217
ILE A 300
IH4  A1330 (-4.1A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1331 ( 4.1A)
IH4  A1330 (-4.5A)
0.29A 3q70A-2bjuA:
11.4
3q70A-2bjuA:
26.34
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
GLU A 193
ASP A 218
THR A 221
TYR A 225
ILE A 305
None
1.14A 3q70A-2h6tA:
50.9
3q70A-2h6tA:
73.68
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  85
SER A  88
ILE A 119
GLU A 193
THR A 221
TYR A 225
ILE A 305
None
0.92A 3q70A-2qzwA:
52.3
3q70A-2qzwA:
73.98
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)
11 ILE A  30
ASP A  32
GLY A  34
GLY A  85
ILE A 119
ASN A 131
GLU A 193
ASP A 218
THR A 221
TYR A 225
ILE A 305
None
0.50A 3q70A-2qzwA:
52.3
3q70A-2qzwA:
73.98
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 123
ASP A  32
GLY A  34
GLY A  85
ILE A 119
GLU A 193
ASP A 218
THR A 221
TYR A 225
ILE A 305
None
1.29A 3q70A-2qzwA:
52.3
3q70A-2qzwA:
73.98
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)
8 ILE A  30
ASP A  32
GLY A  34
GLY A  85
ASP A 218
THR A 221
TYR A 225
ILE A 305
None
0.41A 3q70A-2qzxA:
50.4
3q70A-2qzxA:
56.10
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)
6 ILE A 123
ASP A  32
ASP A 218
THR A 221
TYR A 225
ILE A 305
None
1.12A 3q70A-2qzxA:
50.4
3q70A-2qzxA:
56.10
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)
6 ILE A 123
ASP A  32
ILE A  82
ASP A 218
TYR A 225
ILE A 305
None
1.39A 3q70A-2qzxA:
50.4
3q70A-2qzxA:
56.10
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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei)
PF00026
(Asp)
7 ASP A  38
GLY A  40
GLY A  83
ASN A 140
ASP A 237
THR A 240
ILE A 329
None
0.34A 3q70A-2rmpA:
12.1
3q70A-2rmpA:
29.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum)
PF00026
(Asp)
6 ASP A  33
GLY A  35
GLY A  76
ASP A 213
THR A 216
ILE A 297
PP6  A 327 ( 2.7A)
PP6  A 327 (-4.0A)
PP6  A 327 (-3.5A)
PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
PP6  A 327 (-4.2A)
0.39A 3q70A-2wedA:
10.6
3q70A-2wedA:
29.05
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.
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)
0.64A 3q70A-2wedA:
10.6
3q70A-2wedA:
29.05
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum)
PF00026
(Asp)
5 ILE A 211
ASP A 213
GLY A 215
ILE A 293
ASP A  33
None
PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
None
PP6  A 327 ( 2.7A)
0.65A 3q70A-2wedA:
10.6
3q70A-2wedA:
29.05
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE


(Trichoderma
reesei)
PF00026
(Asp)
6 ASP A  32
GLY A  34
GLY A  76
ASP A 215
THR A 218
ILE A 301
None
0.28A 3q70A-3emyA:
11.3
3q70A-3emyA:
29.79
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE


(Trichoderma
reesei)
PF00026
(Asp)
6 ASP A  32
GLY A  34
ILE A 117
ASP A 215
THR A 218
ILE A 301
None
1.13A 3q70A-3emyA:
11.3
3q70A-3emyA:
29.79
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE


(Trichoderma
reesei)
PF00026
(Asp)
6 ILE A 213
ASP A 215
GLY A 217
ILE A 297
GLU A  13
ASP A  32
None
1.21A 3q70A-3emyA:
11.3
3q70A-3emyA:
29.79
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)
9 ILE A  30
ASP A  32
GLY A  34
GLY A  79
ASN A 125
ASP A 220
THR A 223
TYR A 227
ILE A 303
None
None
None
GOL  A 341 (-4.5A)
None
None
None
GOL  A 341 ( 4.6A)
None
0.37A 3q70A-3fv3A:
13.9
3q70A-3fv3A:
51.99
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)
6 ILE A  30
ASP A  32
GLY A  34
SER A  84
ASN A 125
ASP A 220
None
1.43A 3q70A-3fv3A:
13.9
3q70A-3fv3A:
51.99
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 ILE A 117
ASP A  32
GLY A  34
GLY A  79
ASP A 220
THR A 223
TYR A 227
ILE A 303
None
None
None
GOL  A 341 (-4.5A)
None
None
GOL  A 341 ( 4.6A)
None
1.20A 3q70A-3fv3A:
13.9
3q70A-3fv3A:
51.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
0.49A 3q70A-3psgA:
7.9
3q70A-3psgA:
31.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3psg PEPSINOGEN

(Sus scrofa)
PF00026
(Asp)
PF07966
(A1_Propeptide)
5 ILE A  30
ASP A  32
GLY A  34
ASP A 215
THR A 218
None
0.65A 3q70A-3psgA:
7.9
3q70A-3psgA:
31.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3psg PEPSINOGEN

(Sus scrofa)
PF00026
(Asp)
PF07966
(A1_Propeptide)
6 ILE A 213
ASP A 215
GLY A 217
SER A  35
ASP A  32
ILE A 120
None
1.16A 3q70A-3psgA:
7.9
3q70A-3psgA:
31.05
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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum)
PF00026
(Asp)
6 ILE A  30
ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
006  A 330 (-3.5A)
None
0.32A 3q70A-3qs1A:
9.9
3q70A-3qs1A:
28.53
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)
0.36A 3q70A-4aa9A:
11.8
3q70A-4aa9A:
31.58
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
0.61A 3q70A-4aa9A:
11.8
3q70A-4aa9A:
31.58
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.
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)
0.65A 3q70A-4rcdA:
8.9
3q70A-4rcdA:
25.17
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)
7 ASP A  32
GLY A  34
GLY A  78
ASP A 211
THR A 214
TYR A 218
ILE A 298
None
0.41A 3q70A-4y9wA:
46.9
3q70A-4y9wA:
50.00
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)
7 ILE A 116
ASP A  32
GLY A  78
ASP A 211
THR A 214
TYR A 218
ILE A 298
None
1.22A 3q70A-4y9wA:
46.9
3q70A-4y9wA:
50.00
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
7 ASP A  35
GLY A  37
GLY A  80
ASP A 219
THR A 222
TYR A 226
ILE A 304
61P  A 406 (-2.7A)
61P  A 406 ( 4.0A)
61P  A 406 (-4.1A)
61P  A 406 (-2.9A)
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
0.43A 3q70A-5hctA:
11.2
3q70A-5hctA:
26.62
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
7 ASP A  35
GLY A  37
ILE A 122
ASP A 219
THR A 222
TYR A 226
ILE A 304
61P  A 406 (-2.7A)
61P  A 406 ( 4.0A)
None
61P  A 406 (-2.9A)
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
1.05A 3q70A-5hctA:
11.2
3q70A-5hctA:
26.62
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum)
no annotation 6 ASP B 214
GLY B 216
GLY B  78
ILE B 294
ASP B  34
ILE B 123
None
0.83A 3q70A-5i70B:
9.3
3q70A-5i70B:
28.93
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum)
no annotation 7 ILE B  32
ASP B  34
GLY B  36
GLY B  78
ASP B 214
THR B 217
ILE B 300
None
0.44A 3q70A-5i70B:
9.3
3q70A-5i70B:
28.93
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum)
no annotation 6 ILE B 123
ASP B  34
GLY B  36
ASP B 214
THR B 217
ILE B 300
None
1.13A 3q70A-5i70B:
9.3
3q70A-5i70B:
28.93
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.
5lw3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6


(Azotobacter
vinelandii)
no annotation 6 ILE A  26
GLY A 101
GLY A  67
ILE A  22
GLU A 139
THR A  36
None
1.18A 3q70A-5lw3A:
undetectable
3q70A-5lw3A:
24.15
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.
5mlg RENIN

(Rattus
norvegicus)
no annotation 6 ILE A  79
ASP A  81
GLY A  83
GLY A 127
ASP A 266
THR A 269
None
0.82A 3q70A-5mlgA:
9.6
3q70A-5mlgA:
15.53
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.
5mlg RENIN

(Rattus
norvegicus)
no annotation 6 ILE A  79
ASP A  81
GLY A  83
SER A 128
ASP A 266
THR A 269
None
0.74A 3q70A-5mlgA:
9.6
3q70A-5mlgA:
15.53
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 7 ILE A  34
ASP A  36
GLY A  38
GLY A  80
ASP A 227
THR A 230
ILE A 313
None
0.38A 3q70A-5n7qA:
36.1
3q70A-5n7qA:
11.15
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 6 ILE A 124
ASP A  36
GLY A  38
ASP A 227
THR A 230
ILE A 313
None
1.22A 3q70A-5n7qA:
36.1
3q70A-5n7qA:
11.15
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 6 ILE A 124
ASP A  36
ILE A  77
ASP A 227
THR A 230
ILE A 313
None
1.38A 3q70A-5n7qA:
36.1
3q70A-5n7qA:
11.15
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 6 ILE A 225
ASP A 227
GLY A 229
GLY A  80
ASP A  36
ILE A 124
None
0.80A 3q70A-5n7qA:
36.1
3q70A-5n7qA:
11.15
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B


(Cynara
cardunculus)
no annotation 6 ILE A  78
ASP A  80
GLY A  82
ASP A 267
THR A 270
ILE A 357
None
0.59A 3q70A-5nfgA:
35.0
3q70A-5nfgA:
27.68
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B


(Cynara
cardunculus)
no annotation 6 ILE A 169
ASP A  80
GLY A  82
ASP A 267
THR A 270
ILE A 357
None
1.26A 3q70A-5nfgA:
35.0
3q70A-5nfgA:
27.68
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B


(Cynara
cardunculus)
no annotation 5 ILE A 265
ASP A 267
GLY A 269
ILE A 348
ASP A  80
None
0.71A 3q70A-5nfgA:
35.0
3q70A-5nfgA:
27.68
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
7 ASP A  35
GLY A  37
GLY A  80
ASP A 219
THR A 222
TYR A 226
ILE A 304
None
0.42A 3q70A-5p60A:
10.3
3q70A-5p60A:
28.88
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
7 ASP A  35
GLY A  37
ILE A 122
ASP A 219
THR A 222
TYR A 226
ILE A 304
None
1.05A 3q70A-5p60A:
10.3
3q70A-5p60A:
28.88
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)
7 ILE A  30
ASP A  32
GLY A  34
GLY A  76
ASP A 215
THR A 218
ILE A 301
None
0.45A 3q70A-5pepA:
12.8
3q70A-5pepA:
33.70
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 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
None
0.57A 3q70A-5pepA:
12.8
3q70A-5pepA:
33.70
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 ILE A 213
ASP A 215
GLY A 217
GLY A  76
ASP A  32
None
0.57A 3q70A-5pepA:
12.8
3q70A-5pepA:
33.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucg STAGE II SPORULATION
PROTEIN E


(Bacillus
subtilis)
PF07228
(SpoIIE)
6 ILE A 793
GLY A 747
GLY A 609
THR A 798
TYR A 612
ILE A 626
None
1.47A 3q70A-5ucgA:
undetectable
3q70A-5ucgA:
21.81
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.
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
0.25A 3q70A-5ux4A:
10.4
3q70A-5ux4A:
12.66
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 6 ILE A 224
ASP A 226
GLY A 228
ILE A 306
ASP A  33
ILE A 129
None
3UT  A 404 (-2.4A)
3UT  A 404 (-3.1A)
None
3UT  A 404 (-2.9A)
None
0.60A 3q70A-5ux4A:
10.4
3q70A-5ux4A:
12.66
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.
5yid PLASMEPSIN II

(Plasmodium
falciparum)
no annotation 6 ILE A  34
ASP A  36
GLY A  38
ASP A 216
THR A 219
ILE A 302
K95  A 401 ( 4.0A)
K95  A 401 ( 2.6A)
K95  A 401 ( 3.5A)
NA  A 403 ( 1.9A)
K95  A 401 (-3.8A)
None
0.34A 3q70A-5yidA:
9.7
3q70A-5yidA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.45A 3q70A-6c4gA:
8.7
3q70A-6c4gA:
16.54
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.
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)
0.65A 3q70A-6ej2A:
31.9
3q70A-6ej2A:
13.16