SIMILAR PATTERNS OF AMINO ACIDS FOR 2X9V_D_TMQD1270_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) 		5 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.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		5 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.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		5 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.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		5 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
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.
2igi OLIGORIBONUCLEASE

(Escherichia
coli) 		PF00929
(RNase_T) 		5 ASP A  81
PHE A 114
TYR A 118
LEU A  54
MET A  57
 None
 1.28A 2x9vD-2igiA:
0.2		 2x9vD-2igiA:
23.29
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) 		5 SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
 FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 ( 4.5A)
None
 0.35A 2x9vD-2qhxA:
41.3		 2x9vD-2qhxA:
49.09
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		5 SER A 299
PHE A 300
TYR A 290
LEU A 271
PRO A 272
 None
 1.42A 2x9vD-4bucA:
4.5		 2x9vD-4bucA:
24.78
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) 		8 SER A  95
PHE A  97
ASP A 161
CYH A 168
PHE A 171
TYR A 174
LEU A 209
MET A 213
 NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.1A)
None
3KH  A 302 ( 4.7A)
None
None
 0.46A 2x9vD-4wcdA:
45.7		 2x9vD-4wcdA:
93.06
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) 		5 SER A 105
PHE A 107
ASP A 155
PHE A 165
TYR A 168
 NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
None
 0.62A 2x9vD-5tgdA:
32.2		 2x9vD-5tgdA:
31.65