SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wed'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 THR A 131
ASN A 130
ASP A  77
GLY A 123
 None
None
PP6  A 327 (-3.5A)
None
 0.98A 1bu5B-2wedA:
undetectable		 1bu5B-2wedA:
18.15
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 LEU A  66
LEU A 122
LEU A  39
THR A 138
 None
 0.93A 1dvtA-2wedA:
undetectable
1dvtB-2wedA:
undetectable		 1dvtA-2wedA:
19.44
1dvtB-2wedA:
19.44
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.18A 1hvyA-2wedA:
undetectable		 1hvyA-2wedA:
19.89
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.20A 1hvyB-2wedA:
undetectable		 1hvyB-2wedA:
19.89
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 11 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.16A 1hvyC-2wedA:
undetectable		 1hvyC-2wedA:
19.89
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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 LEU A 271
ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.98A 1hvyD-2wedA:
undetectable		 1hvyD-2wedA:
19.89
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.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 4 GLY A 292
ASP A 222
GLY A 210
THR A 216
 None
None
None
PP6  A 327 (-3.6A)
 0.96A 1hxbB-2wedA:
7.8		 1hxbB-2wedA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 9 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.24A 1i00A-2wedA:
undetectable		 1i00A-2wedA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 9 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.23A 1i00B-2wedA:
undetectable		 1i00B-2wedA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_C_SAMC2293_1
(GLYCINE
N-METHYLTRANSFERASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 6 ASP A 248
SER A 250
ASN A 273
SER A 281
 None
 1.42A 1kiaC-2wedA:
undetectable		 1kiaC-2wedA:
20.83
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.74A 1rtsA-2wedA:
undetectable		 1rtsA-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.74A 1rtsB-2wedA:
undetectable		 1rtsB-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		3 / 3 GLY A 207
ASP A 206
ASN A 194
 None
 0.66A 1vq1A-2wedA:
undetectable		 1vq1A-2wedA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 9 LEU A 157
ASP A 300
ILE A 211
GLY A  35
VAL A 155
 None
None
None
PP6  A 327 (-4.0A)
None
 0.99A 2avoA-2wedA:
7.4		 2avoA-2wedA:
14.84
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.
2FL5_F_RBFF204_1
(IMMUNOGLOBULIN IGG1
LAMBDA LIGHT CHAIN
IMMUNOGLOBULIN IGG1
HEAVY CHAIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 TYR A  57
GLU A  65
PHE A  86
VAL A 132
 None
 1.05A 2fl5E-2wedA:
undetectable
2fl5F-2wedA:
undetectable		 2fl5E-2wedA:
20.92
2fl5F-2wedA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 7 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.20A 2tsrA-2wedA:
undetectable		 2tsrA-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 8 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.17A 2tsrB-2wedA:
undetectable		 2tsrB-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 10 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.15A 2tsrC-2wedA:
undetectable		 2tsrC-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 9 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.21A 2tsrD-2wedA:
undetectable		 2tsrD-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_C_C41C1328_1
(RENIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		6 / 12 ASP A  33
GLY A  35
SER A  36
TYR A  75
ASP A 213
GLY A 215
 PP6  A 327 ( 2.7A)
PP6  A 327 (-4.0A)
PP6  A 327 ( 4.0A)
PP6  A 327 (-3.8A)
PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
 0.38A 2v0zC-2wedA:
38.3		 2v0zC-2wedA:
25.55
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.
3D91_A_REMA350_1
(RENIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASP A 213
GLY A 215
PHE A 295
LEU A 121
ASP A  33
 PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
None
None
PP6  A 327 ( 2.7A)
 1.20A 3d91A-2wedA:
38.2		 3d91A-2wedA:
25.55
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.
3D91_B_REMB350_1
(RENIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASP A  88
GLY A  24
VAL A 102
ALA A  61
SER A  60
 None
 1.18A 3d91B-2wedA:
38.0		 3d91B-2wedA:
25.55
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASN A 118
GLY A 120
ASP A 115
GLY A  53
SER A  55
 None
 1.26A 3k13A-2wedA:
undetectable		 3k13A-2wedA:
20.68
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.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASN A 118
GLY A 120
ASP A 115
GLY A  53
SER A  55
 None
 1.27A 3k13B-2wedA:
undetectable		 3k13B-2wedA:
20.68
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.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASN A 118
GLY A 120
ASP A 115
GLY A  53
SER A  55
 None
 1.27A 3k13C-2wedA:
undetectable		 3k13C-2wedA:
20.68
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 4 GLY A 292
ASP A 222
GLY A 210
THR A 216
 None
None
None
PP6  A 327 (-3.6A)
 0.94A 3k4vC-2wedA:
7.9		 3k4vC-2wedA:
14.52
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.
3LXI_A_CAMA423_0
(CYTOCHROME P450)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 10 TYR A 165
THR A 214
LEU A 122
GLY A 123
THR A 139
 None
 1.14A 3lxiA-2wedA:
undetectable		 3lxiA-2wedA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_B_CAMB423_0
(CYTOCHROME P450)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 11 TYR A 165
THR A 214
LEU A 122
GLY A 123
THR A 139
 None
 1.16A 3lxiB-2wedA:
undetectable		 3lxiB-2wedA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		6 / 10 ILE A  73
TYR A  75
LEU A 121
THR A 131
ILE A 211
ILE A 293
 None
PP6  A 327 (-3.8A)
None
None
None
None
 0.88A 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.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		6 / 10 ILE A  73
TYR A  75
LEU A 121
THR A 131
ILE A 211
THR A 217
 None
PP6  A 327 (-3.8A)
None
None
None
PP6  A 327 (-4.5A)
 0.40A 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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		8 / 12 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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		8 / 12 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		8 / 12 ASP A  33
GLY A  76
PHE A 112
LEU A 121
PHE A 190
ILE A 211
THR A 216
ILE A 297
 PP6  A 327 ( 2.7A)
PP6  A 327 (-3.5A)
PP6  A 327 ( 4.9A)
None
PP6  A 327 ( 4.8A)
None
PP6  A 327 (-3.6A)
PP6  A 327 (-4.2A)
 0.37A 3pwwA-2wedA:
48.0		 3pwwA-2wedA:
54.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		8 / 8 GLY A  35
SER A  36
ILE A  73
TYR A  75
ASP A  77
SER A  79
ASP A 213
THR A 217
 PP6  A 327 (-4.0A)
PP6  A 327 ( 4.0A)
None
PP6  A 327 (-3.8A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.4A)
PP6  A 327 ( 2.5A)
PP6  A 327 (-4.5A)
 0.29A 3pwwA-2wedA:
48.0		 3pwwA-2wedA:
54.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		6 / 12 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.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 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.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 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.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 6 SER A  36
ILE A  73
TYR A  75
ASP A 115
 PP6  A 327 ( 4.0A)
None
PP6  A 327 (-3.8A)
None
 0.88A 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.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 6 SER A  36
ILE A  73
TYR A  75
THR A 217
 PP6  A 327 ( 4.0A)
None
PP6  A 327 (-3.8A)
PP6  A 327 (-4.5A)
 0.23A 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.
3R9V_B_DXCB1_0
(INVASIN IPAD)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ILE A 260
SER A 296
LEU A 219
VAL A 226
 None
 0.97A 3r9vA-2wedA:
undetectable
3r9vB-2wedA:
undetectable		 3r9vA-2wedA:
23.99
3r9vB-2wedA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		8 / 12 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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		7 / 12 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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 6 SER A  36
TYR A  75
THR A 216
THR A 217
 PP6  A 327 ( 4.0A)
PP6  A 327 (-3.8A)
PP6  A 327 (-3.6A)
PP6  A 327 (-4.5A)
 0.25A 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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		8 / 12 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)
 0.51A 3tneB-2wedA:
35.8		 3tneB-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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		8 / 12 ASP A  33
GLY A  35
ILE A  73
GLY A  76
SER A  79
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)
PP6  A 327 (-3.4A)
None
PP6  A 327 ( 2.5A)
PP6  A 327 (-4.2A)
 0.90A 3tneB-2wedA:
35.8		 3tneB-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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 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)
 0.77A 3tneB-2wedA:
35.8		 3tneB-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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 SER A  36
TYR A  75
THR A 216
THR A 217
 PP6  A 327 ( 4.0A)
PP6  A 327 (-3.8A)
PP6  A 327 (-3.6A)
PP6  A 327 (-4.5A)
 0.30A 3tneB-2wedA:
35.8		 3tneB-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.
4C9K_A_CAMA424_0
(CYTOCHROME P450)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 9 TYR A 165
THR A 214
LEU A 122
GLY A 123
THR A 139
 None
 1.22A 4c9kA-2wedA:
undetectable		 4c9kA-2wedA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 VAL A  90
VAL A  21
LEU A  28
ASN A 130
 None
 1.07A 4e1gB-2wedA:
undetectable		 4e1gB-2wedA:
18.10
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.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.19A 4eb4A-2wedA:
undetectable		 4eb4A-2wedA:
20.79
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.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.20A 4eb4B-2wedA:
undetectable		 4eb4B-2wedA:
20.79
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 9 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.19A 4eb4C-2wedA:
undetectable		 4eb4C-2wedA:
20.79
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.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 10 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.22A 4eb4D-2wedA:
undetectable		 4eb4D-2wedA:
20.79
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.
4FU9_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		3 / 3 GLN A 100
THR A 139
THR A 138
 None
 0.80A 4fu9A-2wedA:
undetectable		 4fu9A-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FUF_A_ACTA310_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		3 / 3 GLN A 100
THR A 139
THR A 138
 None
 0.81A 4fufA-2wedA:
undetectable		 4fufA-2wedA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIL_A_RBFA401_1
(MEMBRANE LIPOPROTEIN
TPN38(B))		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 SER A  79
ALA A  37
ASP A  33
ILE A 297
GLY A  78
 PP6  A 327 (-3.4A)
None
PP6  A 327 ( 2.7A)
PP6  A 327 (-4.2A)
None
 1.44A 4iilA-2wedA:
undetectable		 4iilA-2wedA:
23.44
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 7 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.24A 4iqqA-2wedA:
undetectable		 4iqqA-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 7 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.25A 4iqqB-2wedA:
undetectable		 4iqqB-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 7 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.18A 4iqqC-2wedA:
undetectable		 4iqqC-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 8 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.20A 4iqqD-2wedA:
undetectable		 4iqqD-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 SER A  43
TYR A  57
PHE A  86
GLU A  45
 None
 1.21A 4xzkA-2wedA:
undetectable		 4xzkA-2wedA:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y4J_A_LNRA412_1
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		7 / 9 ASP A  33
TYR A  75
ASP A  77
SER A  79
PHE A 112
ASP A 115
LEU A 121
 PP6  A 327 ( 2.7A)
PP6  A 327 (-3.8A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.4A)
PP6  A 327 ( 4.9A)
None
None
 0.43A 4y4jA-2wedA:
47.9		 4y4jA-2wedA:
54.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y4J_A_LNRA412_1
(ENDOTHIAPEPSIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		7 / 9 ASP A  33
TYR A  75
ASP A  77
SER A  79
SER A 109
PHE A 112
LEU A 121
 PP6  A 327 ( 2.7A)
PP6  A 327 (-3.8A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.4A)
None
PP6  A 327 ( 4.9A)
None
 1.42A 4y4jA-2wedA:
47.9		 4y4jA-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.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ILE A 260
PHE A 208
GLY A 210
LEU A 219
 None
 0.88A 4zdzA-2wedA:
undetectable		 4zdzA-2wedA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE3_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ILE A 260
PHE A 208
GLY A 210
LEU A 219
 None
 0.90A 4ze3A-2wedA:
undetectable		 4ze3A-2wedA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_S_BEZS801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 6 PHE A  32
SER A  36
LEU A 121
LEU A  30
 None
PP6  A 327 ( 4.0A)
None
None
 1.33A 5dzke-2wedA:
undetectable
5dzks-2wedA:
undetectable		 5dzke-2wedA:
18.24
5dzks-2wedA:
0.91
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 ILE A 260
PHE A 208
GLY A 210
LEU A 219
 None
 0.87A 5eseA-2wedA:
undetectable		 5eseA-2wedA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 ILE A 260
PHE A 208
GLY A 210
LEU A 219
 None
 0.90A 5esfA-2wedA:
undetectable		 5esfA-2wedA:
20.40
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.
5ESM_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ILE A 260
PHE A 208
GLY A 210
LEU A 219
 None
 0.90A 5esmA-2wedA:
undetectable		 5esmA-2wedA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H3A_A_D16A401_1
(ORF70)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.73A 5h3aA-2wedA:
undetectable		 5h3aA-2wedA:
20.76
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.
5H3A_B_D16B401_1
(ORF70)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 7 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.25A 5h3aB-2wedA:
undetectable		 5h3aB-2wedA:
20.76
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.
5HHJ_B_GLYB404_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 4 GLN A 232
ALA A 200
GLN A 203
THR A 199
 None
 1.11A 5hhjB-2wedA:
0.0		 5hhjB-2wedA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_B_VDYB201_1
(CDL2.2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 10 ILE A 297
VAL A 184
LEU A 317
PRO A 315
LEU A 221
 PP6  A 327 (-4.2A)
None
None
None
None
 1.19A 5ienB-2wedA:
undetectable		 5ienB-2wedA:
16.05
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.
5KOX_A_RFPA502_1
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 GLY A  63
GLY A 120
THR A  22
GLY A  25
GLY A  24
 None
 0.94A 5koxA-2wedA:
undetectable		 5koxA-2wedA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.75A 5nooA-2wedA:
undetectable		 5nooA-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.73A 5nooB-2wedA:
undetectable		 5nooB-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 6 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.21A 5nooC-2wedA:
undetectable		 5nooC-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 8 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.23A 5nooD-2wedA:
undetectable		 5nooD-2wedA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUJ_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 ALA A 200
PHE A 298
LEU A 219
VAL A 195
 None
 0.84A 5nujA-2wedA:
undetectable		 5nujA-2wedA:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 6 PHE A 126
LEU A 124
TRP A 191
GLY A  35
 None
None
None
PP6  A 327 (-4.0A)
 0.89A 5o4yA-2wedA:
undetectable		 5o4yA-2wedA:
10.13
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 6 PHE A 126
LEU A 124
TRP A 191
GLY A  35
 None
None
None
PP6  A 327 (-4.0A)
 1.07A 5o4yF-2wedA:
undetectable		 5o4yF-2wedA:
10.13
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.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 12 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.21A 5x5qB-2wedA:
undetectable		 5x5qB-2wedA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 7 ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.73A 5x5qC-2wedA:
undetectable		 5x5qC-2wedA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 8 ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.74A 5x5qD-2wedA:
undetectable		 5x5qD-2wedA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 8 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.22A 5x5qF-2wedA:
undetectable		 5x5qF-2wedA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		5 / 9 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.33A 5x66C-2wedA:
undetectable		 5x66C-2wedA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2wed PENICILLOPEPSIN
(Penicillium
janthinellum) 		4 / 5 LEU A 148
GLN A 150
PHE A 169
PHE A 140
 None
None
MAN  A 324 ( 4.4A)
None
 1.39A 6nmpP-2wedA:
undetectable
6nmpW-2wedA:
undetectable		 6nmpP-2wedA:
23.98
6nmpW-2wedA:
10.46