SIMILAR PATTERNS OF AMINO ACIDS FOR 1DED_B_QPSB1501_2

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 TRP A  97
HIS A 136
PHE A 179
LEU A 190
ASP A 192
LYS A 228
 None
 0.67A 1dedB-1cygA:
63.5		 1dedB-1cygA:
63.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 TRP A  97
HIS A 136
PHE A 179
LEU A 190
LYS A 228
ASP A 367
 None
 0.58A 1dedB-1cygA:
63.5		 1dedB-1cygA:
63.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
ASP A 371
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
BGC  A1696 (-3.5A)
 0.33A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
GLC  A1693 ( 4.8A)
 0.47A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 TYR A 227
PHE A 321
LEU A 301
ASP A 299
ASP A 188
 None
 1.45A 1dedB-2vqrA:
0.6		 1dedB-2vqrA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		7 TRP A 102
HIS A 141
PHE A 184
LEU A 195
ASP A 197
LYS A 233
ASP A 371
 GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GLC  A 692 (-4.0A)
None
GOL  A 704 (-3.1A)
GLC  A 692 ( 2.8A)
GLC  A 695 ( 3.0A)
 0.45A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 TYR A 383
HIS A 107
LEU A 110
ASP A 112
ASN A  87
 None
 1.45A 1dedB-3lkbA:
0.5		 1dedB-3lkbA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
ASP A 196
LYS A 232
ASP A 371
 None
 0.62A 1dedB-4cgtA:
64.1		 1dedB-4cgtA:
72.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
 None
 0.66A 1dedB-4cgtA:
64.1		 1dedB-4cgtA:
72.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		8 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
ASP A 372
 EDO  A 720 (-4.5A)
EDO  A 720 ( 4.0A)
GOL  A 711 (-4.0A)
None
None
EDO  A 720 ( 3.1A)
None
GOL  A 716 (-2.7A)
 0.56A 1dedB-4jclA:
66.6		 1dedB-4jclA:
67.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 TRP A  98
HIS A 137
LEU A 185
ASP A 187
ASP A 361
 None
 0.51A 1dedB-4jcmA:
59.4		 1dedB-4jcmA:
54.49