SIMILAR PATTERNS OF AMINO ACIDS FOR 2C7V_D_MTXD1272_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		8 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		8 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		6 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
None
NAP  A1300 ( 3.6A)
FE1  A1301 ( 4.5A)
 0.26A 2c7vD-2qhxA:
40.8		 2c7vD-2qhxA:
42.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wcd PTERIDINE REDUCTASE

(Trypanosoma
brucei) 		PF13561
(adh_short_C2) 		10 ARG A  14
SER A  95
PHE A  97
PRO A  99
ASP A 161
PHE A 171
TYR A 174
PRO A 210
MET A 213
TRP A 221
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
None
NAP  A 301 ( 3.8A)
None
3KH  A 302 ( 4.7A)
3KH  A 302 ( 4.0A)
None
3KH  A 302 (-3.8A)
 0.36A 2c7vD-4wcdA:
45.1		 2c7vD-4wcdA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 PHE A 240
PRO A  94
ASP A 163
PHE A 159
PRO A 238
 None
 1.43A 2c7vD-5nn8A:
1.2		 2c7vD-5nn8A:
15.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		6 ARG A  31
SER A 105
PHE A 107
ASP A 155
PHE A 165
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
None
 0.67A 2c7vD-5tgdA:
32.2		 2c7vD-5tgdA:
30.03