SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1aq0'

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
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		5 / 11 ALA A 217
VAL A 127
MET A 218
TYR A 215
LEU A 165
 None
 1.31A 1hbpA-1aq0A:
0.0		 1hbpA-1aq0A:
20.53
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 8 TYR A 170
GLU A 280
TYR A  33
GLY A   6
 None
 1.08A 2ha4A-1aq0A:
undetectable		 2ha4A-1aq0A:
20.93
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.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 7 TYR A 170
GLU A 280
TYR A  33
GLY A   6
 None
 1.10A 2ha4B-1aq0A:
undetectable		 2ha4B-1aq0A:
20.93
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 6 ALA A 187
LEU A 188
ALA A 242
THR A 241
 None
 0.81A 3b6hA-1aq0A:
0.0		 3b6hA-1aq0A:
19.45
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 6 ALA A 187
LEU A 188
ALA A 242
THR A 241
 None
 0.73A 3b6hB-1aq0A:
0.0		 3b6hB-1aq0A:
19.45
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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 8 VAL A 287
TRP A 291
PRO A 179
TRP A 175
 None
 1.47A 3v35A-1aq0A:
10.1		 3v35A-1aq0A:
21.64
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.
4WQ4_A_ACTA403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		3 / 3 VAL A 109
LEU A 113
VAL A  73
 None
 0.48A 4wq4A-1aq0A:
undetectable		 4wq4A-1aq0A:
22.80
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.
5I1O_H_DVAH9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		3 / 3 ALA A  98
ASN A 101
LEU A 102
 None
 0.42A 5i1oA-1aq0A:
0.0		 5i1oA-1aq0A:
9.19
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.
5I1P_G_DVAG9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		3 / 3 ALA A  98
ASN A 101
LEU A 102
 None
 0.49A 5i1pD-1aq0A:
0.0		 5i1pD-1aq0A:
9.54
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.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 8 ILE A 274
PHE A 306
ASN A  25
PRO A 245
 None
 1.07A 5x23A-1aq0A:
0.0		 5x23A-1aq0A:
18.95
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.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 7 ALA A 217
THR A 216
TYR A 215
GLN A 129
 None
 0.51A 6cduA-1aq0A:
0.0
6cduE-1aq0A:
undetectable		 6cduA-1aq0A:
22.25
6cduE-1aq0A:
22.25
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.
6CDU_E_EY4E500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 8 GLN A 129
ALA A 217
THR A 216
TYR A 215
 None
 0.54A 6cduD-1aq0A:
0.0
6cduE-1aq0A:
0.0		 6cduD-1aq0A:
22.25
6cduE-1aq0A:
22.25
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.
6CDU_H_EY4H500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 7 GLN A 129
ALA A 217
THR A 216
TYR A 215
 None
 0.46A 6cduH-1aq0A:
0.0
6cduI-1aq0A:
undetectable		 6cduH-1aq0A:
22.25
6cduI-1aq0A:
22.25
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		5 / 12 VAL A 230
SER A 231
PHE A 207
GLY A 234
VAL A 127
 None
 1.11A 6drzA-1aq0A:
undetectable		 6drzA-1aq0A:
22.06
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.
6DWD_C_GLYC713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		3 / 3 GLN A 299
TYR A 295
ASN A 297
 None
 1.03A 6dwdC-1aq0A:
0.0		 6dwdC-1aq0A:
19.06
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		 1aq0 1,3-1,4-BETA-GLUCANA
SE
(Hordeum
vulgare) 		4 / 8 ASN A 205
PHE A 189
VAL A 230
SER A 233
 None
 1.24A 6huoC-1aq0A:
undetectable
6huoD-1aq0A:
undetectable		 6huoC-1aq0A:
14.33
6huoD-1aq0A:
11.97