SIMILAR PATTERNS OF AMINO ACIDS FOR 1DED_A_QPSA1001_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) 		8 TYR A  93
TRP A  97
HIS A 136
ASP A 192
ARG A 223
LYS A 228
TRP A 254
PHE A 255
 None
 0.57A 1dedA-1cygA:
60.4		 1dedA-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) 		8 TYR A  97
TRP A 101
HIS A 140
ASP A 196
ARG A 227
LYS A 232
TRP A 258
PHE A 259
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
None
GLC  A1695 ( 4.1A)
GLC  A1693 ( 4.8A)
None
GLC  A1693 (-3.7A)
 0.40A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 TYR A  89
TRP A  93
HIS A 132
ARG A 226
LYS A 231
TRP A 257
 None
ABD  A1200 (-3.9A)
ABD  A1200 (-3.9A)
ABD  A1200 (-3.3A)
ABD  A1200 (-2.9A)
None
 0.65A 1dedA-1qhoA:
56.0		 1dedA-1qhoA:
45.06
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) 		8 TYR A  98
TRP A 102
HIS A 141
ASP A 197
ARG A 228
LYS A 233
TRP A 259
PHE A 260
 None
GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GOL  A 704 (-3.1A)
ACI  A 694 (-3.4A)
GLC  A 692 ( 2.8A)
None
G6D  A 693 ( 4.3A)
 0.60A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
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) 		8 TYR A  97
TRP A 101
HIS A 140
ASP A 196
ARG A 227
LYS A 232
TRP A 258
PHE A 259
 None
 0.60A 1dedA-4cgtA:
60.1		 1dedA-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) 		7 TYR A  97
TRP A 101
HIS A 140
ASP A 196
ARG A 227
LYS A 232
TRP A 259
 None
EDO  A 720 ( 4.0A)
GOL  A 711 (-4.0A)
EDO  A 720 ( 3.1A)
EDO  A 718 ( 4.8A)
None
None
 0.32A 1dedA-4jclA:
61.3		 1dedA-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) 		7 TYR A  94
TRP A  98
HIS A 137
ASP A 187
ARG A 218
TRP A 249
PHE A 250
 None
None
None
None
None
SO4  A 731 (-4.2A)
None
 0.48A 1dedA-4jcmA:
58.7		 1dedA-4jcmA:
54.49