SIMILAR PATTERNS OF AMINO ACIDS FOR 3PGY_B_GLYB509_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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 101
THR A 137
LEU A 207
TYR A 206
 None
 1.42A 3pgyB-1cygA:
0.6		 3pgyB-1cygA:
19.24
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 105
THR A 141
LEU A 211
TYR A 210
 None
 1.41A 3pgyB-1dedA:
0.6		 3pgyB-1dedA:
22.61
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 105
THR A 141
LEU A 211
TYR A 210
 None
 1.40A 3pgyB-1kclA:
0.7		 3pgyB-1kclA:
22.83
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.
1nrj SIGNAL RECOGNITION
PARTICLE RECEPTOR
ALPHA SUBUNIT
HOMOLOG

(Saccharomyces
cerevisiae) 		PF09201
(SRX) 		4 PHE A  56
THR A  53
LEU A 110
TYR A  78
 None
 1.26A 3pgyB-1nrjA:
undetectable		 3pgyB-1nrjA:
16.71
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.
1o5z FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Thermotoga
maritima) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 PHE A  80
THR A  79
LEU A   7
TYR A   3
 None
 1.36A 3pgyB-1o5zA:
0.7		 3pgyB-1o5zA:
23.83
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.
1uar RHODANESE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		4 PHE A 215
THR A 214
LEU A   9
TYR A   3
 None
 1.30A 3pgyB-1uarA:
0.8		 3pgyB-1uarA:
21.25
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		4 PHE A  69
THR A  96
LEU A  88
TYR A  90
 None
 1.28A 3pgyB-2c49A:
0.9		 3pgyB-2c49A:
22.38
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.
2he3 GLUTATHIONE
PEROXIDASE 2

(Homo sapiens) 		PF00255
(GSHPx) 		4 PHE A  47
THR A  43
LEU A  86
TYR A  95
 None
 1.31A 3pgyB-2he3A:
undetectable		 3pgyB-2he3A:
17.08
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		4 PHE A 311
THR A 314
LEU A 307
TYR A 340
 None
 1.05A 3pgyB-2yn9A:
3.0		 3pgyB-2yn9A:
17.69
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 PHE A 106
THR A 142
LEU A 212
TYR A 211
 None
 1.45A 3pgyB-3bmwA:
undetectable		 3pgyB-3bmwA:
20.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1

(Mycobacterium
tuberculosis) 		PF00464
(SHMT) 		4 PHE A  35
THR A 371
LEU A 414
TYR A 415
 None
 0.39A 3pgyB-3h7fA:
51.3		 3pgyB-3h7fA:
53.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		4 PHE A  34
THR A 366
LEU A 410
TYR A 411
 GLY  A 510 (-4.0A)
None
None
None
 0.18A 3pgyB-3pgyA:
66.2		 3pgyB-3pgyA:
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.
3swv BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 2

(Homo sapiens) 		PF01369
(Sec7) 		4 PHE A 763
THR A 761
LEU A 810
TYR A 814
 None
 1.44A 3pgyB-3swvA:
undetectable		 3pgyB-3swvA:
19.57
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.
4aez MITOTIC SPINDLE
CHECKPOINT COMPONENT
MAD2

(Schizosaccharomyces
pombe) 		PF02301
(HORMA) 		4 PHE B 151
THR B 150
LEU B  31
TYR B  37
 None
 1.31A 3pgyB-4aezB:
undetectable		 3pgyB-4aezB:
19.47
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 PHE A 102
THR A 138
LEU A 202
TYR A 201
 None
 1.47A 3pgyB-4jcmA:
1.9		 3pgyB-4jcmA:
20.52
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 PHE A 434
THR A 435
LEU A 422
TYR A 423
 BMA  A 606 ( 3.5A)
BMA  A 605 ( 4.7A)
None
BMA  A 605 ( 4.9A)
 1.32A 3pgyB-4pfyA:
undetectable		 3pgyB-4pfyA:
21.69
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) 		4 PHE A 371
THR A 373
LEU A 237
TYR A 438
 None
 1.38A 3pgyB-4xkqA:
undetectable		 3pgyB-4xkqA:
23.17