SIMILAR PATTERNS OF AMINO ACIDS FOR 4AFG_A_QMRA1214

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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A 189
TYR A 175
ILE A 187
ILE A 155
PHE A 174
 None
 1.28A 4afgA-1mjfA:
0.0
4afgB-1mjfA:
0.0		 4afgA-1mjfA:
20.33
4afgB-1mjfA:
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 163
TYR A 103
ILE A  84
ILE A 192
PHE A 167
 None
 1.50A 4afgA-1u0mA:
0.0
4afgB-1u0mA:
0.0		 4afgA-1u0mA:
20.62
4afgB-1u0mA:
20.62
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 TYR A 327
TYR A 239
ILE A 112
ILE A 115
PHE A 323
 None
 1.45A 4afgA-2np0A:
0.0
4afgB-2np0A:
0.0		 4afgA-2np0A:
11.22
4afgB-2np0A:
11.22
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 VAL A  81
TYR A 136
TYR A 156
ILE A  96
ILE A 108
 None
 1.28A 4afgA-2xh6A:
0.0
4afgB-2xh6A:
0.0		 4afgA-2xh6A:
21.43
4afgB-2xh6A:
21.43
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A 192
TYR A 178
ILE A 190
ILE A 158
PHE A 177
 None
 1.18A 4afgA-2zsuA:
0.0
4afgB-2zsuA:
0.0		 4afgA-2zsuA:
19.93
4afgB-2zsuA:
19.93
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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A 189
TYR A 175
ILE A 187
ILE A 155
PHE A 174
 None
 1.34A 4afgA-3o4fA:
0.0
4afgB-3o4fA:
0.0		 4afgA-3o4fA:
18.39
4afgB-3o4fA:
18.39
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A  50
TYR A 135
CYH A  57
ILE A  69
ILE A 158
 None
None
None
GOL  A 517 (-4.2A)
None
 1.21A 4afgA-3pfeA:
0.0
4afgB-3pfeA:
0.0		 4afgA-3pfeA:
17.99
4afgB-3pfeA:
17.99
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 TYR B 660
TYR B 438
ILE B 634
ILE B 776
PHE B 661
 None
 1.43A 4afgA-3v0aB:
0.0
4afgB-3v0aB:
0.0		 4afgA-3v0aB:
12.30
4afgB-3v0aB:
12.30
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.
4m8n PLEXINC1
INTRACELLULAR REGION

(Danio rerio) 		PF08337
(Plexin_cytopl) 		5 VAL A 737
TYR A 730
ILE A 956
ILE A1006
PHE A 604
 None
 1.36A 4afgA-4m8nA:
0.0
4afgB-4m8nA:
0.0		 4afgA-4m8nA:
17.80
4afgB-4m8nA:
17.80
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 VAL A  81
TYR A 136
TYR A 156
ILE A  96
ILE A 108
 None
 1.31A 4afgA-4p5hA:
undetectable
4afgB-4p5hA:
undetectable		 4afgA-4p5hA:
22.62
4afgB-4p5hA:
22.62
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.
5ar1 CELL DIVISION
CONTROL PROTEIN 11

(Saccharomyces
cerevisiae) 		PF00735
(Septin) 		5 TYR A 140
CYH A 138
ILE A  88
ILE A 106
PHE A 156
 None
 1.41A 4afgA-5ar1A:
undetectable
4afgB-5ar1A:
undetectable		 4afgA-5ar1A:
22.52
4afgB-5ar1A:
22.52
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 VAL A 212
TYR A 197
ILE A 210
ILE A 175
PHE A 196
 None
 1.35A 4afgA-6bq6A:
undetectable
4afgB-6bq6A:
undetectable		 4afgA-6bq6A:
17.11
4afgB-6bq6A:
17.11