SIMILAR PATTERNS OF AMINO ACIDS FOR 5CAD_A_ACTA402_0

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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		4 PHE A 123
TYR A  48
ASN A  49
ARG A 119
 None
 1.26A 5cadA-1j31A:
0.0		 5cadA-1j31A:
20.70
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.
1p7b INTEGRAL MEMBRANE
CHANNEL AND
CYTOSOLIC DOMAINS

(Burkholderia
pseudomallei) 		PF01007
(IRK) 		4 PHE A 303
ALA A 178
TYR A 285
ASN A 227
 None
 1.36A 5cadA-1p7bA:
0.0		 5cadA-1p7bA:
21.52
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.
2b1l THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 PHE A 128
ALA A 112
TYR A 123
ASN A 121
 None
 1.37A 5cadA-2b1lA:
0.2		 5cadA-2b1lA:
16.15
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		4 PHE B 432
ALA B 337
ASN B 317
ARG B  57
 None
 1.43A 5cadA-3a0hB:
0.0		 5cadA-3a0hB:
22.03
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		4 PHE A  96
ALA A 313
TYR A  79
ASN A 102
 None
 1.17A 5cadA-3qufA:
0.0		 5cadA-3qufA:
23.74
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.
4gxp BETA-GLUCOSIDASE
CHIMERIC PROTEIN

(Thermotoga
maritima;
Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		4 PHE A 417
ALA A  82
TYR A 368
ASN A 167
 None
 1.28A 5cadA-4gxpA:
undetectable		 5cadA-4gxpA:
21.31
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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
CALCINEURIN SUBUNIT
B, VARIANT

(Coccidioides
immitis;
Coccidioides
immitis) 		PF00149
(Metallophos)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 PHE A  42
ALA A  39
ASN B 109
ARG A  32
 None
 1.37A 5cadA-5b8iA:
0.0		 5cadA-5b8iA:
18.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		4 PHE A 228
ALA A 247
ASN A 344
ARG A 267
 ACT  A 402 (-4.8A)
ACT  A 402 ( 3.8A)
None
ACT  A 402 (-3.9A)
 1.23A 5cadA-5cadA:
62.9		 5cadA-5cadA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		6 PHE A 228
ALA A 247
TYR A 260
ASN A 262
ARG A 267
LYS A 346
 ACT  A 402 (-4.8A)
ACT  A 402 ( 3.8A)
ACT  A 402 (-4.5A)
ACT  A 402 (-3.3A)
ACT  A 402 (-3.9A)
ACT  A 402 (-2.9A)
 0.00A 5cadA-5cadA:
62.9		 5cadA-5cadA:
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		4 PHE A 187
ALA A 177
TYR A 116
ASN A 115
 None
None
SAH  A 301 (-4.0A)
None
 1.45A 5cadA-5je3A:
0.0		 5cadA-5je3A:
20.55
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 4 PHE A 220
TYR A 259
ASN A 261
LYS A 351
 None
ACT  A 502 (-4.5A)
ACT  A 502 (-3.3A)
ACT  A 502 (-2.7A)
 1.33A 5cadA-5vf5A:
58.4		 5cadA-5vf5A:
undetectable
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 4 PHE A 227
ALA A 246
ASN A 349
ARG A 266
 ACT  A 502 (-4.7A)
ACT  A 502 ( 3.9A)
None
ACT  A 502 (-3.9A)
 1.22A 5cadA-5vf5A:
58.4		 5cadA-5vf5A:
undetectable
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 6 PHE A 227
ALA A 246
TYR A 259
ASN A 261
ARG A 266
LYS A 351
 ACT  A 502 (-4.7A)
ACT  A 502 ( 3.9A)
ACT  A 502 (-4.5A)
ACT  A 502 (-3.3A)
ACT  A 502 (-3.9A)
ACT  A 502 (-2.7A)
 0.01A 5cadA-5vf5A:
58.4		 5cadA-5vf5A:
undetectable