SIMILAR PATTERNS OF AMINO ACIDS FOR 3C6M_D_SPMD501_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.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A  76
ASP A 101
ASP A 170
TYR A 239
TRP A 244
 None
 0.70A 3c6mD-1inlA:
23.4		 3c6mD-1inlA:
23.38
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A  62
ASP A  87
GLN A 189
TYR A 224
TRP A 229
 None
 0.93A 3c6mD-1iy9A:
23.4		 3c6mD-1iy9A:
22.34
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) 		6 TYR A  60
ASP A  85
ASP A 158
GLN A 191
TYR A 226
TRP A 230
 None
 0.48A 3c6mD-1mjfA:
26.0		 3c6mD-1mjfA:
21.90
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 106
ASP A 131
ASP A 201
GLN A 234
TYR A 270
 None
 0.89A 3c6mD-1xj5A:
24.9		 3c6mD-1xj5A:
22.82
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 102
ASP A 127
ASP A 196
GLN A 229
TYR A 264
 S4M  A 501 (-4.9A)
S4M  A 501 (-2.9A)
S4M  A 501 (-2.6A)
None
None
 0.75A 3c6mD-2pt6A:
25.4		 3c6mD-2pt6A:
23.37
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) 		6 TYR A  62
ASP A  87
ASP A 161
GLN A 194
TYR A 229
TRP A 233
 AG3  A1001 (-4.5A)
AG3  A1001 (-3.0A)
AG3  A1001 (-2.8A)
AG3  A1001 ( 4.1A)
AG3  A1001 (-3.7A)
AG3  A1001 (-4.9A)
 0.58A 3c6mD-2zsuA:
25.9		 3c6mD-2zsuA:
22.28
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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A  73
ASP A  98
ASP A 168
GLN A 201
TYR A 237
 S4M  A 301 (-4.4A)
S4M  A 301 (-3.1A)
S4M  A 301 (-3.1A)
None
None
 0.76A 3c6mD-4yv2A:
23.2		 3c6mD-4yv2A:
24.40
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		5 TYR A 208
ASP A 112
ASP A 137
ASP A 147
GLN A 149
 None
ZN  A 402 (-2.4A)
None
None
None
 1.33A 3c6mD-5iqkA:
undetectable		 3c6mD-5iqkA:
20.98
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 TYR A  84
ASP A 178
GLN A 214
TYR A 251
TRP A 255
 TER  A 402 (-4.6A)
TER  A 402 (-4.1A)
TER  A 402 ( 3.7A)
TER  A 402 (-3.4A)
TER  A 402 (-3.9A)
 0.60A 3c6mD-6bq6A:
23.0		 3c6mD-6bq6A:
11.87