SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1p33'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
11 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 226
LEU A 229
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 ( 4.8A)
0.54A 1e7wA-1p33A:
44.8
1e7wA-1p33A:
79.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 12 SER A 111
PHE A 113
PRO A 115
TYR A 191
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.93A 1e7wA-1p33A:
44.8
1e7wA-1p33A:
79.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7W_B_MTXB301_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
9 / 11 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 226
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.31A 1e7wB-1p33A:
43.7
1e7wB-1p33A:
79.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7W_B_MTXB301_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 11 SER A 111
PHE A 113
PRO A 115
TYR A 191
TYR A 194
LEU A 229
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
1.17A 1e7wB-1p33A:
43.7
1e7wB-1p33A:
79.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXF_A_MTXA1278_1
(PTERIDINE REDUCTASE
2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 10 ARG A  17
SER A 111
ASP A 181
LEU A 188
TYR A 194
PRO A 230
TYR A 241
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
0.51A 1mxfA-1p33A:
41.3
1mxfA-1p33A:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXF_A_MTXA1278_1
(PTERIDINE REDUCTASE
2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 10 ARG A  17
SER A 111
ASP A 181
TYR A 194
LEU A 226
PRO A 230
TYR A 241
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
0.70A 1mxfA-1p33A:
41.3
1mxfA-1p33A:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXF_B_MTXB2278_1
(PTERIDINE REDUCTASE
2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 11 ARG A  17
SER A 111
ASP A 181
LEU A 188
TYR A 194
LEU A 226
PRO A 230
TYR A 241
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
0.66A 1mxfB-1p33A:
41.4
1mxfB-1p33A:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXF_C_MTXC3278_1
(PTERIDINE REDUCTASE
2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 11 ARG A  17
SER A 111
ASP A 181
LEU A 188
TYR A 194
PRO A 230
TYR A 241
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
0.50A 1mxfC-1p33A:
41.4
1mxfC-1p33A:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXF_C_MTXC3278_1
(PTERIDINE REDUCTASE
2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 11 ARG A  17
SER A 111
ASP A 181
TYR A 194
LEU A 226
PRO A 230
TYR A 241
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
0.68A 1mxfC-1p33A:
41.4
1mxfC-1p33A:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXF_D_MTXD4278_1
(PTERIDINE REDUCTASE
2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 11 ARG A  17
SER A 111
ASP A 181
LEU A 188
TYR A 194
LEU A 226
PRO A 230
TYR A 241
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
0.65A 1mxfD-1p33A:
41.4
1mxfD-1p33A:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFM_A_TOPA1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 9 PHE A 113
ASP A 181
LEU A 188
TYR A 194
LEU A 226
LEU A 229
TYR A 283
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
None
0.65A 2bfmA-1p33A:
44.0
2bfmD-1p33A:
43.4
2bfmA-1p33A:
80.62
2bfmD-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFM_B_TOPB1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 9 PHE A 113
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 226
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.23A 2bfmB-1p33A:
43.8
2bfmC-1p33A:
43.3
2bfmB-1p33A:
80.62
2bfmC-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFM_B_TOPB1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 9 PHE A 113
ASP A 181
TYR A 191
TYR A 194
LEU A 226
LEU A 229
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
0.69A 2bfmB-1p33A:
43.8
2bfmC-1p33A:
43.3
2bfmB-1p33A:
80.62
2bfmC-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFM_B_TOPB1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 9 PHE A 113
LEU A 188
TYR A 191
TYR A 194
LEU A 226
MTX  A 351 (-3.5A)
MTX  A 351 (-4.5A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.95A 2bfmB-1p33A:
43.8
2bfmC-1p33A:
43.3
2bfmB-1p33A:
80.62
2bfmC-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 188
TYR A 194
LEU A 226
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.38A 2bfpA-1p33A:
44.3
2bfpA-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
0.56A 2bfpA-1p33A:
44.3
2bfpA-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 8 SER A 111
PHE A 113
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.74A 2bfpA-1p33A:
44.3
2bfpA-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 188
TYR A 194
LEU A 226
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.37A 2bfpB-1p33A:
44.4
2bfpB-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
0.60A 2bfpB-1p33A:
44.4
2bfpB-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 8 SER A 111
PHE A 113
LEU A 188
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.77A 2bfpB-1p33A:
44.4
2bfpB-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_C_H4BC1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 188
TYR A 194
LEU A 226
LEU A 229
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
0.44A 2bfpC-1p33A:
44.0
2bfpC-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_C_H4BC1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 8 SER A 111
PHE A 113
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
0.99A 2bfpC-1p33A:
44.0
2bfpC-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BFP_D_H4BD1290_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 188
TYR A 194
LEU A 226
LEU A 229
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
0.46A 2bfpD-1p33A:
43.8
2bfpD-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C7V_A_MTXA1272_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 9 ARG A  17
SER A 111
PHE A 113
PRO A 115
TYR A 194
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.43A 2c7vA-1p33A:
42.1
2c7vA-1p33A:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C7V_B_MTXB1272_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
9 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.43A 2c7vB-1p33A:
42.0
2c7vB-1p33A:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C7V_B_MTXB1272_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 12 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
1.08A 2c7vB-1p33A:
42.0
2c7vB-1p33A:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C7V_C_MTXC1272_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
9 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.42A 2c7vC-1p33A:
42.1
2c7vC-1p33A:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C7V_C_MTXC1272_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 12 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
1.11A 2c7vC-1p33A:
42.1
2c7vC-1p33A:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C7V_D_MTXD1272_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 10 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.43A 2c7vD-1p33A:
41.7
2c7vD-1p33A:
50.52
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 7 TYR A 114
SER A 146
SER A 112
SER A  67
None
NDP  A 300 ( 4.0A)
NDP  A 300 (-4.2A)
NDP  A 300 (-4.5A)
1.01A 2i91A-1p33A:
4.5
2i91A-1p33A:
21.53
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.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 7 TYR A 114
SER A 146
SER A 112
SER A  67
None
NDP  A 300 ( 4.0A)
NDP  A 300 (-4.2A)
NDP  A 300 (-4.5A)
1.02A 2i91B-1p33A:
4.3
2i91B-1p33A:
21.53
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.
2QHF_A_ACTA503_0
(CHORISMATE SYNTHASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 5 GLN A 169
THR A 165
ARG A 166
ALA A 167
None
1.40A 2qhfA-1p33A:
0.0
2qhfA-1p33A:
24.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_A_LYAA1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
9 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.47A 2x9gA-1p33A:
41.8
2x9gA-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_A_LYAA1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 12 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
1.08A 2x9gA-1p33A:
41.8
2x9gA-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_B_LYAB1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
9 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.38A 2x9gB-1p33A:
41.7
2x9gB-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_B_LYAB1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 12 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
1.04A 2x9gB-1p33A:
41.7
2x9gB-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_C_LYAC1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
9 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.50A 2x9gC-1p33A:
42.0
2x9gC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_C_LYAC1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 12 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
1.05A 2x9gC-1p33A:
42.0
2x9gC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_D_LYAD1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
9 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.53A 2x9gD-1p33A:
41.5
2x9gD-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9G_D_LYAD1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 12 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
1.07A 2x9gD-1p33A:
41.5
2x9gD-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9V_A_TMQA1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 11 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.38A 2x9vA-1p33A:
41.8
2x9vA-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9V_B_TMQB1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 9 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.57A 2x9vB-1p33A:
42.0
2x9vB-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9V_C_TMQC1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 10 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
1.06A 2x9vC-1p33A:
41.6
2x9vC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9V_C_TMQC1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 10 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 ( 4.8A)
0.67A 2x9vC-1p33A:
41.6
2x9vC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9V_D_TMQD1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 9 PHE A 113
ASP A 181
TYR A 194
LEU A 229
MET A 233
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 ( 4.8A)
0.75A 2x9vD-1p33A:
41.6
2x9vD-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X9V_D_TMQD1270_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 9 SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
0.34A 2x9vD-1p33A:
41.6
2x9vD-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BMC_A_FOLA270_0
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 11 ARG A  17
SER A 111
PHE A 113
PRO A 115
TYR A 194
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.67A 3bmcA-1p33A:
41.7
3bmcA-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BMC_B_FOLB270_0
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 11 ARG A  17
SER A 111
PHE A 113
PRO A 115
TYR A 194
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.68A 3bmcB-1p33A:
41.5
3bmcB-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BMC_C_FOLC270_0
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.70A 3bmcC-1p33A:
41.5
3bmcC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BMC_D_FOLD270_0
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 12 ARG A  17
SER A 111
PHE A 113
PRO A 115
TYR A 194
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.71A 3bmcD-1p33A:
41.7
3bmcD-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 10 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.42A 3jq7A-1p33A:
41.9
3jq7A-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
0.46A 3jq7B-1p33A:
41.7
3jq7B-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
7 / 8 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
0.31A 3jq7C-1p33A:
40.0
3jq7C-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQ7_D_DX2D270_1
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 9 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
0.46A 3jq7D-1p33A:
41.7
3jq7D-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 6 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
0.34A 3jqaA-1p33A:
41.7
3jqaA-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQA_B_DX4B270_0
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 6 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
0.28A 3jqaB-1p33A:
41.5
3jqaB-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 6 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
0.43A 3jqaC-1p33A:
41.5
3jqaC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
6 / 6 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
0.39A 3jqaD-1p33A:
41.6
3jqaD-1p33A:
48.53
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.
3MBH_F_PXLF400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 11 ASP A 142
SER A 112
LEU A 143
VAL A  69
ASP A  65
NDP  A 300 (-3.5A)
NDP  A 300 (-4.2A)
None
None
NDP  A 300 (-4.3A)
1.34A 3mbhF-1p33A:
6.5
3mbhF-1p33A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA5_A_06XA501_1
(CYTOCHROME P450 2B6)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 8 ILE A 155
ILE A 217
SER A  90
THR A 165
VAL A  93
None
1.24A 3ua5A-1p33A:
undetectable
3ua5A-1p33A:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 7 ILE A  22
GLY A  19
SER A  20
SER A  21
LEU A  47
None
1.17A 3v7pA-1p33A:
2.9
3v7pA-1p33A:
21.49
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.
4DV1_A_SRYA1601_1
(16S RRNA
RIBOSOMAL PROTEIN
S12)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
3 / 3 LYS A 270
LYS A 268
PRO A 267
None
1.27A 4dv1L-1p33A:
undetectable
4dv1L-1p33A:
19.86
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.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 10 VAL A  33
LEU A  51
GLY A  13
ALA A  14
LEU A  35
None
None
NDP  A 300 (-3.6A)
None
None
1.14A 4ph9A-1p33A:
undetectable
4ph9A-1p33A:
19.63
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.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 7 GLY A  13
GLY A  19
SER A  21
LEU A  26
NDP  A 300 (-3.6A)
None
None
None
0.86A 5izfA-1p33A:
undetectable
5izfA-1p33A:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JDC_A_6JPA302_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 10 ARG A  17
SER A 111
PHE A 113
ASP A 181
MET A 183
TYR A 194
LEU A 229
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
None
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
0.35A 5jdcA-1p33A:
41.5
5jdcD-1p33A:
41.5
5jdcA-1p33A:
48.53
5jdcD-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JDC_B_6JPB302_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 9 ARG A  17
SER A 111
PHE A 113
ASP A 181
MET A 183
TYR A 194
LEU A 229
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
None
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
0.38A 5jdcB-1p33A:
41.3
5jdcB-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JDC_C_6JPC302_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 10 ARG A  17
SER A 111
PHE A 113
ASP A 181
MET A 183
TYR A 194
LEU A 229
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
None
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
0.37A 5jdcB-1p33A:
41.3
5jdcC-1p33A:
39.4
5jdcB-1p33A:
48.53
5jdcC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JDC_D_6JPD302_1
(PTERIDINE REDUCTASE)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
8 / 11 ARG A  17
SER A 111
PHE A 113
ASP A 181
MET A 183
TYR A 194
LEU A 229
PRO A 230
NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
None
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
0.32A 5jdcA-1p33A:
41.5
5jdcD-1p33A:
41.5
5jdcA-1p33A:
48.53
5jdcD-1p33A:
48.53
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
5 / 12 VAL A 257
ASP A 259
GLU A 256
SER A 252
ARG A 250
None
1.40A 5nd2B-1p33A:
7.2
5nd2B-1p33A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 8 THR A   5
PRO A   7
TYR A  31
VAL A 105
None
1.00A 5nzyA-1p33A:
undetectable
5nzyA-1p33A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TL8_A_X2NA502_2
(PROTEIN CYP51)
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae)
4 / 6 PRO A 151
LEU A 154
PHE A 153
LEU A 204
None
1.18A 5tl8A-1p33A:
0.0
5tl8A-1p33A:
22.56