SIMILAR PATTERNS OF AMINO ACIDS FOR 1I1E_A_DM2A3001_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
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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		5 GLU A 181
GLU A 185
GLY A 187
HIS A 215
TYR A 208
 None
 1.38A 1i1eA-1brlA:
0.0		 1i1eA-1brlA:
13.10
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.
1dll TETANUS TOXIN

(Clostridium
tetani) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 GLY A1269
HIS A1271
SER A1287
TRP A1289
TYR A1290
 None
LAT  A2000 ( 4.9A)
GOL  A3000 ( 2.6A)
GOL  A3000 ( 3.3A)
GOL  A3000 ( 4.0A)
 0.44A 1i1eA-1dllA:
0.0		 1i1eA-1dllA:
15.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		6 GLU A1189
GLU A1190
GLY A1239
SER A1260
TRP A1262
TYR A1263
 None
 0.79A 1i1eA-2nm1A:
37.5		 1i1eA-2nm1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 GLU A1190
GLY A1239
HIS A1241
ARG A1242
TRP A1262
 None
 0.94A 1i1eA-2nm1A:
37.5		 1i1eA-2nm1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		6 GLU A1190
GLY A1239
HIS A1241
SER A1260
TRP A1262
TYR A1263
 None
 0.63A 1i1eA-2nm1A:
37.5		 1i1eA-2nm1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 GLU A1190
HIS A1241
ARG A1242
CYH A1258
TRP A1262
 None
 1.18A 1i1eA-2nm1A:
37.5		 1i1eA-2nm1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 GLU A1188
GLU A1189
GLY A1238
HIS A1240
SER A1259
 None
 1.18A 1i1eA-2np0A:
66.2		 1i1eA-2np0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 GLU A1188
GLU A1189
GLY A1238
SER A1259
TYR A1262
 None
 1.20A 1i1eA-2np0A:
66.2		 1i1eA-2np0A:
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLU A 245
GLU A 241
GLY A 309
HIS A 277
TYR A 280
 None
 1.48A 1i1eA-3e0lA:
1.0		 1i1eA-3e0lA:
17.05
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.
3rsj BONT/F

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		6 GLU A1195
GLY A1239
HIS A1241
SER A1248
TRP A1250
TYR A1251
 NGA  A   3 ( 3.1A)
None
GAL  A   4 ( 4.2A)
GAL  A   4 (-2.7A)
GAL  A   4 (-4.1A)
GAL  A   4 ( 4.4A)
 0.70A 1i1eA-3rsjA:
28.6		 1i1eA-3rsjA:
15.72
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.
5moy BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 GLU A1203
GLY A1251
HIS A1253
SER A1264
TYR A1267
 None
 0.54A 1i1eA-5moyA:
0.0		 1i1eA-5moyA:
15.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 GLY A1269
HIS A1271
SER A1287
TRP A1289
TYR A1290
 None
GAL  A1404 ( 4.2A)
NGA  A1403 ( 3.7A)
GAL  A1404 ( 3.9A)
GAL  A1404 (-4.4A)
 0.73A 1i1eA-5n0cA:
52.6		 1i1eA-5n0cA:
41.73
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 5 GLY A 112
HIS A 287
ARG A 293
CYH A 137
SER A 114
 None
 1.50A 1i1eA-5o7gA:
0.3		 1i1eA-5o7gA:
4.91
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.
5tpc BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 GLU A1203
GLY A1251
HIS A1253
SER A1264
TYR A1267
 NGA  A1303 (-3.1A)
None
GAL  A1304 (-3.7A)
GAL  A1304 (-2.7A)
GAL  A1304 ( 4.2A)
 0.59A 1i1eA-5tpcA:
29.7		 1i1eA-5tpcA:
18.33
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.
5tpc BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 GLU A1203
GLY A1251
SER A1264
TRP A1266
TYR A1267
 NGA  A1303 (-3.1A)
None
GAL  A1304 (-2.7A)
GAL  A1304 ( 4.1A)
GAL  A1304 ( 4.2A)
 0.66A 1i1eA-5tpcA:
29.7		 1i1eA-5tpcA:
18.33