SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1mxf'

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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
8 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
LEU A 176
TYR A 182
LEU A 214
LEU A 217
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
None
0.77A 1e7wA-1mxfA:
40.6
1e7wA-1mxfA:
48.47
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
8 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
LEU A 176
TYR A 182
LEU A 217
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 (-4.6A)
0.65A 1e7wA-1mxfA:
40.6
1e7wA-1mxfA:
48.47
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 SER A 103
PRO A 107
LEU A 176
TYR A 182
LEU A 214
MTX  A1278 ( 2.7A)
None
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
1.22A 1e7wA-1mxfA:
40.6
1e7wA-1mxfA:
48.47
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 11 ARG A  22
SER A 103
PRO A 107
ASP A 169
LEU A 176
TYR A 182
LEU A 214
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
0.64A 1e7wB-1mxfA:
40.1
1e7wB-1mxfA:
48.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIN_A_TFPA154_1
(CALMODULIN)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 7 GLU A 227
MET A 221
LEU A 217
GLU A 239
None
MTX  A1278 (-4.6A)
None
None
1.10A 1linA-1mxfA:
undetectable
1linA-1mxfA:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P33_A_MTXA351_1
(PTERIDINE REDUCTASE
1)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
LEU A 217
PRO A 218
MET A 221
TYR A 229
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
0.48A 1p33A-1mxfA:
41.3
1p33A-1mxfA:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P33_A_MTXA351_1
(PTERIDINE REDUCTASE
1)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 214
LEU A 217
PRO A 218
MET A 221
TYR A 229
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
0.66A 1p33A-1mxfA:
41.3
1p33A-1mxfA:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P33_B_MTXB352_1
(PTERIDINE REDUCTASE
1)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
LEU A 217
PRO A 218
MET A 221
TYR A 229
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
0.45A 1p33B-1mxfA:
41.0
1p33B-1mxfA:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P33_B_MTXB352_1
(PTERIDINE REDUCTASE
1)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 214
LEU A 217
PRO A 218
MET A 221
TYR A 229
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
0.65A 1p33B-1mxfA:
41.0
1p33B-1mxfA:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P33_C_MTXC353_1
(PTERIDINE REDUCTASE
1)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
10 / 12 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
LEU A 214
LEU A 217
PRO A 218
MET A 221
TYR A 229
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
0.58A 1p33C-1mxfA:
41.1
1p33C-1mxfA:
49.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P33_D_MTXD354_1
(PTERIDINE REDUCTASE
1)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
10 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
LEU A 176
TYR A 182
LEU A 217
PRO A 218
MET A 221
TYR A 229
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
0.49A 1p33D-1mxfA:
40.6
1p33D-1mxfA:
49.83
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.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 7 VAL A 138
TYR A  42
CYH A  67
CYH A  80
None
1.22A 1t46A-1mxfA:
undetectable
1t46A-1mxfA:
21.07
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.
2AB2_B_SNLB503_2
(MINERALOCORTICOID
RECEPTOR)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 5 LEU A  78
LEU A  77
LEU A 143
LEU A 141
None
0.99A 2ab2B-1mxfA:
0.0
2ab2B-1mxfA:
20.45
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 8 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
0.36A 2bfpA-1mxfA:
40.2
2bfpA-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 8 SER A 103
LEU A 176
TYR A 182
LEU A 214
MTX  A1278 ( 2.7A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
0.95A 2bfpA-1mxfA:
40.2
2bfpA-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 8 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
0.38A 2bfpB-1mxfA:
40.2
2bfpB-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 8 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 214
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
0.68A 2bfpB-1mxfA:
40.2
2bfpB-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 8 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 217
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
0.68A 2bfpB-1mxfA:
40.2
2bfpB-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 8 SER A 103
LEU A 176
TYR A 182
LEU A 214
MTX  A1278 ( 2.7A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
0.93A 2bfpB-1mxfA:
40.2
2bfpB-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 8 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
LEU A 217
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
0.46A 2bfpC-1mxfA:
39.6
2bfpC-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 8 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 214
LEU A 217
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
None
0.75A 2bfpC-1mxfA:
39.6
2bfpC-1mxfA:
48.64
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 8 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
LEU A 217
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
0.50A 2bfpD-1mxfA:
39.5
2bfpD-1mxfA:
48.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 GLY A  18
ARG A  43
ASP A  70
SER A  72
ALA A 102
NDP  A1277 ( 3.7A)
NDP  A1277 (-3.7A)
NDP  A1277 (-3.9A)
NDP  A1277 (-3.5A)
NDP  A1277 (-3.7A)
0.95A 2br4C-1mxfA:
4.8
2br4C-1mxfA:
21.35
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 9 ARG A  22
SER A 103
PRO A 107
PHE A 179
TYR A 182
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.41A 2c7vA-1mxfA:
42.8
2c7vA-1mxfA:
58.93
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.38A 2c7vB-1mxfA:
42.6
2c7vB-1mxfA:
58.93
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.40A 2c7vC-1mxfA:
42.4
2c7vC-1mxfA:
58.93
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
8 / 10 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.38A 2c7vD-1mxfA:
42.6
2c7vD-1mxfA:
58.93
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.
2JFA_B_CCSB417_0
(ESTROGEN RECEPTOR)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
3 / 3 GLN A 151
LYS A 161
VAL A 164
None
0.78A 2jfaB-1mxfA:
0.0
2jfaB-1mxfA:
21.10
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 8 ILE A 245
ILE A 249
ASN A 100
VAL A  99
ALA A  14
None
1.41A 2nniA-1mxfA:
undetectable
2nniA-1mxfA:
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.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 ALA A 257
ALA A 250
VAL A  97
GLN A 151
PRO A  12
None
1.20A 2ve3B-1mxfA:
undetectable
2ve3B-1mxfA:
21.12
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.58A 2x9gA-1mxfA:
42.5
2x9gA-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.44A 2x9gB-1mxfA:
42.1
2x9gB-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
9 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.60A 2x9gC-1mxfA:
42.3
2x9gC-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
8 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.63A 2x9gD-1mxfA:
42.3
2x9gD-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
8 / 12 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.46A 2x9gD-1mxfA:
42.3
2x9gD-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 11 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.45A 2x9vA-1mxfA:
42.7
2x9vA-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 9 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.53A 2x9vB-1mxfA:
42.6
2x9vB-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 10 ARG A  22
SER A 103
ASP A 169
PHE A 179
TYR A 182
LEU A 217
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
0.39A 2x9vC-1mxfA:
42.5
2x9vC-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 10 SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.87A 2x9vC-1mxfA:
42.5
2x9vC-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 9 SER A 103
ASP A 169
PHE A 179
TYR A 182
LEU A 217
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
0.41A 2x9vD-1mxfA:
42.4
2x9vD-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 9 SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.93A 2x9vD-1mxfA:
42.4
2x9vD-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 11 ARG A  22
SER A 103
PRO A 107
PHE A 179
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.78A 3bmcA-1mxfA:
42.4
3bmcA-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 11 ARG A  22
SER A 103
PRO A 107
PHE A 179
TYR A 182
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
0.58A 3bmcA-1mxfA:
42.4
3bmcA-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 11 ARG A  22
SER A 103
PRO A 107
PHE A 179
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.77A 3bmcB-1mxfA:
14.4
3bmcB-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 11 ARG A  22
SER A 103
PRO A 107
PHE A 179
TYR A 182
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
0.58A 3bmcB-1mxfA:
14.4
3bmcB-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 12 ARG A  22
SER A 103
PHE A 179
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.80A 3bmcC-1mxfA:
42.4
3bmcC-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 12 ARG A  22
SER A 103
PRO A 107
PHE A 179
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.70A 3bmcC-1mxfA:
42.4
3bmcC-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 ARG A  22
SER A 103
PHE A 179
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.82A 3bmcD-1mxfA:
42.3
3bmcD-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 12 ARG A  22
SER A 103
PRO A 107
PHE A 179
TYR A 182
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
0.59A 3bmcD-1mxfA:
42.3
3bmcD-1mxfA:
56.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ERD_A_DESA600_1
(ESTROGEN RECEPTOR
ALPHA)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 LEU A 141
ALA A 139
LEU A  73
LEU A  77
LEU A  78
None
0.98A 3erdA-1mxfA:
undetectable
3erdA-1mxfA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 LEU A 141
ALA A 139
LEU A  73
LEU A  77
LEU A  78
None
0.99A 3hm1A-1mxfA:
undetectable
3hm1A-1mxfA:
22.49
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 10 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.41A 3jq7A-1mxfA:
42.7
3jq7A-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 8 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.34A 3jq7B-1mxfA:
42.9
3jq7B-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
6 / 8 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.34A 3jq7C-1mxfA:
41.3
3jq7C-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 9 ARG A  22
SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
MET A 221
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
0.48A 3jq7D-1mxfA:
42.6
3jq7D-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 6 ARG A  22
SER A 103
ASP A 169
TYR A 182
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
0.36A 3jqaA-1mxfA:
42.8
3jqaA-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 6 ARG A  22
SER A 103
ASP A 169
TYR A 182
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
0.25A 3jqaB-1mxfA:
43.0
3jqaB-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 6 ARG A  22
SER A 103
ASP A 169
TYR A 182
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
0.52A 3jqaC-1mxfA:
42.6
3jqaC-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 6 ARG A  22
SER A 103
ASP A 169
TYR A 182
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
MTX  A1278 ( 4.1A)
0.46A 3jqaD-1mxfA:
42.7
3jqaD-1mxfA:
56.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 9 PHE A 251
ALA A 248
ALA A 246
LEU A 252
VAL A 253
None
1.20A 4or0A-1mxfA:
undetectable
4or0A-1mxfA:
18.34
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.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 6 ILE A  27
GLY A  19
ILE A  84
VAL A  38
None
0.73A 4r21A-1mxfA:
undetectable
4r21A-1mxfA:
20.89
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.
4ZN7_A_DESA601_1
(ESTROGEN RECEPTOR)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 LEU A 141
ALA A 139
LEU A  73
LEU A  77
LEU A  78
None
0.98A 4zn7A-1mxfA:
undetectable
4zn7A-1mxfA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
3 / 3 ASP A 247
VAL A 267
LEU A 265
None
0.65A 5e5jB-1mxfA:
undetectable
5e5jB-1mxfA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWJ_B_QELB503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 11 LEU A 235
PRO A 212
ALA A 240
GLN A 244
ILE A 245
None
NDP  A1277 (-4.1A)
None
None
None
1.43A 5ewjA-1mxfA:
2.9
5ewjB-1mxfA:
4.0
5ewjA-1mxfA:
21.90
5ewjB-1mxfA:
20.84
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 10 ARG A  22
SER A 103
ASP A 169
MET A 171
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.46A 5jdcA-1mxfA:
42.6
5jdcD-1mxfA:
42.6
5jdcA-1mxfA:
56.85
5jdcD-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 9 ARG A  22
SER A 103
ASP A 169
MET A 171
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.39A 5jdcB-1mxfA:
42.6
5jdcB-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 10 ARG A  22
SER A 103
ASP A 169
MET A 171
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.49A 5jdcB-1mxfA:
42.6
5jdcC-1mxfA:
40.7
5jdcB-1mxfA:
56.85
5jdcC-1mxfA:
56.85
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)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
7 / 11 ARG A  22
SER A 103
ASP A 169
MET A 171
TYR A 182
LEU A 217
PRO A 218
NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
0.41A 5jdcA-1mxfA:
42.6
5jdcD-1mxfA:
42.6
5jdcA-1mxfA:
56.85
5jdcD-1mxfA:
56.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L94_A_TESA502_1
(CYTOCHROME P450)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 8 VAL A 210
ILE A 245
ALA A 246
VAL A  99
VAL A 165
None
0.93A 5l94A-1mxfA:
undetectable
5l94A-1mxfA:
20.89
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 6 GLU A 131
ALA A 130
LEU A 132
TYR A 106
NDP  A1277 (-4.3A)
None
None
None
0.97A 5phhA-1mxfA:
undetectable
5phhA-1mxfA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A7J_A_TESA502_0
(CYTOCHROME P450)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
4 / 7 LEU A 141
LEU A 192
ALA A 195
ALA A 196
None
0.60A 6a7jA-1mxfA:
undetectable
6a7jA-1mxfA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi)
5 / 12 ILE A 245
VAL A 165
VAL A  99
LEU A 265
THR A 264
None
1.15A 6b52A-1mxfA:
0.8
6b52A-1mxfA:
20.83