SIMILAR PATTERNS OF AMINO ACIDS FOR 4AFG_D_QMRD1214

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
 1.24A 4afgC-1mjfA:
0.0
4afgD-1mjfA:
0.0		 4afgC-1mjfA:
20.33
4afgD-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.
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
 1.44A 4afgC-2np0A:
0.0
4afgD-2np0A:
0.0		 4afgC-2np0A:
11.22
4afgD-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
 1.30A 4afgC-2xh6A:
0.0
4afgD-2xh6A:
0.0		 4afgC-2xh6A:
21.43
4afgD-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
 1.14A 4afgC-2zsuA:
0.0
4afgD-2zsuA:
0.0		 4afgC-2zsuA:
19.93
4afgD-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.
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
 1.48A 4afgC-3v0aB:
0.0
4afgD-3v0aB:
0.0		 4afgC-3v0aB:
12.30
4afgD-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
 1.41A 4afgC-4m8nA:
0.0
4afgD-4m8nA:
0.0		 4afgC-4m8nA:
17.80
4afgD-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
 1.32A 4afgC-4p5hA:
0.0
4afgD-4p5hA:
0.0		 4afgC-4p5hA:
22.62
4afgD-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
 1.45A 4afgC-5ar1A:
0.0
4afgD-5ar1A:
0.0		 4afgC-5ar1A:
22.52
4afgD-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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D

(Methanothermococcus
thermolithotrophicus) 		PF02662
(FlpD) 		5 VAL D  62
CYH D  12
ILE D   9
ILE D  35
PHE D 115
 None
 1.47A 4afgC-5odrD:
0.0
4afgD-5odrD:
0.0		 4afgC-5odrD:
18.42
4afgD-5odrD:
18.42
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 5 VAL A 254
TYR A 229
TYR A 276
ILE A 286
ILE A 251
 None
 1.48A 4afgC-5oi9A:
undetectable
4afgD-5oi9A:
undetectable		 4afgC-5oi9A:
16.06
4afgD-5oi9A:
16.06
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.
5xft DEHYDROASCORBATE
REDUCTASE

(Chlamydomonas
reinhardtii) 		no annotation 5 VAL A  62
CYH A  21
CYH A  24
ILE A  78
PHE A  45
 None
 1.48A 4afgC-5xftA:
undetectable
4afgD-5xftA:
undetectable		 4afgC-5xftA:
17.53
4afgD-5xftA:
17.53
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 VAL A 212
TYR A 197
ILE A 210
ILE A 175
PHE A 196
 None
 1.31A 4afgC-6bq6A:
undetectable
4afgD-6bq6A:
undetectable		 4afgC-6bq6A:
17.11
4afgD-6bq6A:
17.11