SIMILAR PATTERNS OF AMINO ACIDS FOR 3JQ7_A_DX2A271_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) 		7 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.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		8 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
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.
1tw6 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00653
(BIR) 		5 PHE A  94
VAL A 103
LEU A  99
PRO A  98
TRP A 134
 None
 1.32A 3jq7A-1tw6A:
0.0		 3jq7A-1tw6A:
25.09
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
ASP A 181
TYR A 194
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 ( 4.5A)
None
 0.49A 3jq7A-2qhxA:
41.2		 3jq7A-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.
3bjx HALOCARBOXYLIC ACID
DEHALOGENASE DEHI

(Pseudomonas
putida) 		PF10778
(DehI) 		5 SER A 292
PHE A 294
VAL A 106
LEU A 158
PRO A  33
 None
 1.50A 3jq7A-3bjxA:
0.0		 3jq7A-3bjxA:
26.87
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 SER A 120
PHE A 121
TYR A 134
VAL A 212
PRO A 244
 None
 1.43A 3jq7A-4om9A:
0.0		 3jq7A-4om9A:
14.77
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
ASP A 161
TYR A 174
VAL A 206
LEU A 209
PRO A 210
MET A 213
TRP A 221
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.7A)
NAP  A 301 (-4.6A)
None
3KH  A 302 ( 4.0A)
None
3KH  A 302 (-3.8A)
 0.45A 3jq7A-4wcdA:
45.8		 3jq7A-4wcdA:
93.06
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.
5k50 L-THREONINE
3-DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 5 ASP A1134
VAL A1169
LEU A1171
PRO A1172
MET A1215
 None
None
NAD  A1401 ( 4.0A)
None
None
 0.88A 3jq7A-5k50A:
16.7		 3jq7A-5k50A:
22.70
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 ARG A  31
SER A 105
PHE A 107
ASP A 155
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
 0.51A 3jq7A-5tgdA:
32.3		 3jq7A-5tgdA:
31.65
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.
5ypz COFB

(Escherichia
coli) 		no annotation 5 SER A 130
PHE A 129
VAL A  51
LEU A  71
PRO A  70
 None
 1.39A 3jq7A-5ypzA:
undetectable		 3jq7A-5ypzA:
13.57