SIMILAR PATTERNS OF AMINO ACIDS FOR 3C6M_A_SPMA501_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.
1b3j MHC CLASS I HOMOLOG
MIC-A

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 VAL A 142
ASN A 141
TYR A 112
ASP A  82
GLN A  83
 None
 1.35A 3c6mA-1b3jA:
undetectable		 3c6mA-1b3jA:
24.23
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
 0.69A 3c6mA-1inlA:
23.4		 3c6mA-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 VAL A  52
ASP A  87
GLN A 189
TYR A 224
TRP A 229
 None
 0.98A 3c6mA-1iy9A:
23.5		 3c6mA-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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A  52
TYR A  62
ASP A  87
TYR A 224
TRP A 229
 None
 0.68A 3c6mA-1iy9A:
23.5		 3c6mA-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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A  52
TYR A  62
ASP A 156
TYR A 224
TRP A 229
 None
 1.08A 3c6mA-1iy9A:
23.5		 3c6mA-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) 		7 VAL A  50
TYR A  60
ASP A  85
ASP A 158
GLN A 191
TYR A 226
TRP A 230
 None
 0.57A 3c6mA-1mjfA:
26.1		 3c6mA-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
 0.88A 3c6mA-1xj5A:
24.8		 3c6mA-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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 TYR A 208
ASP A 205
VAL A 273
ASN A 272
ASP A 294
 None
 1.38A 3c6mA-2dwsA:
undetectable		 3c6mA-2dwsA:
23.89
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.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 ASP A 223
VAL A 226
ASN A 227
ASP A 231
GLU A 255
 None
 1.39A 3c6mA-2hxgA:
undetectable		 3c6mA-2hxgA:
22.31
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
 0.74A 3c6mA-2pt6A:
25.5		 3c6mA-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) 		5 ASP A 164
TYR A  62
ASP A 161
TYR A 229
TRP A 233
 AG3  A1001 (-3.0A)
AG3  A1001 (-4.5A)
AG3  A1001 (-2.8A)
AG3  A1001 (-3.7A)
AG3  A1001 (-4.9A)
 1.09A 3c6mA-2zsuA:
26.0		 3c6mA-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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 VAL A  52
TYR A  62
ASP A  87
ASP A 161
GLN A 194
TYR A 229
TRP A 233
 AG3  A1001 (-4.3A)
AG3  A1001 (-4.5A)
AG3  A1001 (-3.0A)
AG3  A1001 (-2.8A)
AG3  A1001 ( 4.1A)
AG3  A1001 (-3.7A)
AG3  A1001 (-4.9A)
 0.60A 3c6mA-2zsuA:
26.0		 3c6mA-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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A  53
TYR A  63
ASP A  88
ASP A 158
GLN A 191
 None
 1.17A 3c6mA-3o4fA:
2.6		 3c6mA-3o4fA:
22.93
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  53
TYR A  63
ASP A  88
ASP A 158
TYR A 226
 None
 1.13A 3c6mA-3o4fA:
2.6		 3c6mA-3o4fA:
22.93
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.
3tny YFIY (ABC TRANSPORT
SYSTEM
SUBSTRATE-BINDING
PROTEIN)

(Bacillus cereus) 		PF01497
(Peripla_BP_2) 		5 TYR A 235
ASP A 167
VAL A 168
TYR A 171
ASP A 257
 None
None
None
SKZ  A 290 (-4.8A)
None
 1.43A 3c6mA-3tnyA:
2.5		 3c6mA-3tnyA:
21.64
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		5 TYR A 138
VAL A 146
TYR A 161
GLN A 163
GLU A  26
 None
 1.38A 3c6mA-4xkqA:
undetectable		 3c6mA-4xkqA:
21.66
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
 0.79A 3c6mA-4yv2A:
23.2		 3c6mA-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
 1.34A 3c6mA-5iqkA:
undetectable		 3c6mA-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)
 0.61A 3c6mA-6bq6A:
23.0		 3c6mA-6bq6A:
11.87