SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ABD'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		9 / 12 HIS A  90
TYR A  92
LEU A 196
ASP A 228
ALA A 229
HIS A 328
ASP A 329
ASP A 372
ARG A 376
 ABD  A1200 ( 3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 ( 4.8A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
 0.62A 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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		7 / 12 HIS A  90
TYR A  92
LEU A 196
GLU A 256
ASP A 329
ASP A 372
ARG A 376
 ABD  A1200 ( 3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 ( 4.8A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
 0.92A 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.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 9 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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		10 / 12 HIS A  90
TYR A  92
LEU A 196
ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
ARG A 376
 ABD  A1200 ( 3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 ( 4.8A)
ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
 0.66A 1dedB-1qhoA:
59.8		 1dedB-1qhoA:
45.06
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		8 / 12 TYR A  92
HIS A 132
ARG A 226
ASP A 228
LYS A 231
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.8A)
ABD  A1200 (-3.9A)
ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.30A 1mxdA-1qhoA:
30.8		 1mxdA-1qhoA:
21.83
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		8 / 12 TYR A  92
HIS A 132
PHE A 188
ARG A 226
ASP A 228
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.8A)
ABD  A1200 (-3.9A)
ABD  A1200 (-4.1A)
ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.59A 1mxdA-1qhoA:
30.8		 1mxdA-1qhoA:
21.83
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		4 / 5 TRP A  93
ALA A 144
LEU A 196
ALA A  82
 ABD  A1200 (-3.9A)
None
ABD  A1200 ( 4.8A)
None
 1.36A 2jstA-1qhoA:
0.0
2jstB-1qhoA:
undetectable		 2jstA-1qhoA:
5.39
2jstB-1qhoA:
5.39
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		3 / 3 SER A 277
HIS A 232
ASP A 178
 None
ABD  A1200 ( 3.8A)
ABD  A1200 ( 4.9A)
 0.66A 2wa2B-1qhoA:
undetectable		 2wa2B-1qhoA:
18.26
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.63A 3aicA-1qhoA:
3.9		 3aicA-1qhoA:
25.14
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.63A 3aicB-1qhoA:
2.8		 3aicB-1qhoA:
25.14
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		7 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
TYR A  92
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
 0.61A 3aicC-1qhoA:
9.9		 3aicC-1qhoA:
25.14
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.69A 3aicD-1qhoA:
7.7		 3aicD-1qhoA:
25.14
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.68A 3aicE-1qhoA:
5.4		 3aicE-1qhoA:
25.14
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.62A 3aicF-1qhoA:
9.8		 3aicF-1qhoA:
25.14
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.60A 3aicG-1qhoA:
4.5		 3aicG-1qhoA:
25.14
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		6 / 12 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.70A 3aicH-1qhoA:
5.6		 3aicH-1qhoA:
25.14
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		5 / 12 ARG A 226
ASP A 228
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.43A 5csyB-1qhoA:
19.9		 5csyB-1qhoA:
21.86
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		5 / 12 ARG A 226
GLU A 256
GLY A 259
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.3A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.80A 5csyB-1qhoA:
19.9		 5csyB-1qhoA:
21.86
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		7 / 12 TYR A  92
HIS A 132
ASP A 228
LYS A 231
HIS A 232
HIS A 328
ASP A 329
 ABD  A1200 (-3.8A)
ABD  A1200 (-3.9A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 ( 3.8A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.43A 6ag0A-1qhoA:
28.3		 6ag0A-1qhoA:
8.16
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1qho ALPHA-AMYLASE
(Geobacillus
stearothermophil
us) 		5 / 12 ASP A 228
LYS A 231
HIS A 232
HIS A 328
ASP A 329
 ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 ( 3.8A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.42A 6ag0C-1qhoA:
28.6		 6ag0C-1qhoA:
8.16