SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AQA'


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.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		5 / 9 GLY A 168
GLY A 179
GLU A 173
ARG A 202
GLY A 204
 None
None
None
AQA  A1338 (-2.8A)
None
 1.30A 1l5kA-3zscA:
undetectable		 1l5kA-3zscA:
21.94
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		4 / 7 ASP A 139
ASP A 115
ASP A 117
HIS A 161
 AQA  A1338 (-3.9A)
None
None
None
 1.45A 1t03A-3zscA:
undetectable		 1t03A-3zscA:
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.
3NAI_A_URFA521_1
(RNA DEPENDENT RNA
POLYMERASE)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		4 / 5 ARG A 197
ASP A 117
ASP A 139
ASP A 115
 AQA  A1338 (-3.2A)
None
AQA  A1338 (-3.9A)
None
 1.13A 3naiA-3zscA:
undetectable		 3naiA-3zscA:
20.87
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.
3NAI_B_URFB521_1
(RNA DEPENDENT RNA
POLYMERASE)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		4 / 4 ARG A 197
ASP A 117
ASP A 139
ASP A 115
 AQA  A1338 (-3.2A)
None
AQA  A1338 (-3.9A)
None
 1.10A 3naiB-3zscA:
undetectable		 3naiB-3zscA:
20.87
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.
3NAI_C_URFC521_1
(RNA DEPENDENT RNA
POLYMERASE)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		4 / 5 ARG A 197
ASP A 117
ASP A 139
ASP A 115
 AQA  A1338 (-3.2A)
None
AQA  A1338 (-3.9A)
None
 1.00A 3naiC-3zscA:
undetectable		 3naiC-3zscA:
20.87
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.
4FZV_A_SAMA401_1
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		3 / 3 ASP A 143
ARG A 197
ASP A 115
 None
AQA  A1338 (-3.2A)
None
 0.86A 4fzvA-3zscA:
undetectable		 4fzvA-3zscA:
17.68
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.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		 5ols RHAMNOGALACTURONAN
LYASE
(Bacteroides
thetaiotaomicron) 		5 / 12 PHE A 217
TYR A 199
ASP A 215
ASP A 250
GLY A 283
 None
None
CA  A 601 (-2.1A)
AQA  A 606 ( 3.1A)
None
 1.47A 4j7xF-5olsA:
undetectable		 4j7xF-5olsA:
19.51
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.
5HFJ_E_SAME301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		5 / 12 ASP A 139
LYS A 163
PHE A 116
GLY A 137
TYR A 104
 AQA  A1338 (-3.9A)
AQA  A1338 (-3.0A)
None
None
None
 1.03A 5hfjE-3zscA:
undetectable		 5hfjE-3zscA:
19.94
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.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		5 / 12 ASP A 139
LYS A 163
PHE A 116
GLY A 137
TYR A 104
 AQA  A1338 (-3.9A)
AQA  A1338 (-3.0A)
None
None
None
 1.08A 5hfjG-3zscA:
undetectable		 5hfjG-3zscA:
19.94
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.
5HFJ_H_SAMH301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		5 / 12 ASP A 139
LYS A 163
PHE A 116
GLY A 137
TYR A 104
 AQA  A1338 (-3.9A)
AQA  A1338 (-3.0A)
None
None
None
 1.05A 5hfjH-3zscA:
undetectable		 5hfjH-3zscA:
19.94
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.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 5ols RHAMNOGALACTURONAN
LYASE
(Bacteroides
thetaiotaomicron) 		5 / 12 GLY A 269
GLN A 155
GLY A 248
ASP A 250
THR A 282
 None
RAM  A 605 ( 3.3A)
None
AQA  A 606 ( 3.1A)
None
 1.26A 5hg0A-5olsA:
undetectable		 5hg0A-5olsA:
19.65
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		 5ols RHAMNOGALACTURONAN
LYASE
(Bacteroides
thetaiotaomicron) 		5 / 7 ASP A 247
GLY A 248
ASP A 246
HIS A 220
ASP A 250
 CA  A 601 ( 3.3A)
None
CA  A 602 (-2.5A)
RAM  A 605 ( 3.6A)
AQA  A 606 ( 3.1A)
 1.45A 5no9D-5olsA:
undetectable		 5no9D-5olsA:
10.44
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		4 / 7 LEU A 166
ASP A 143
ASP A 117
ARG A 197
 AQA  A1338 ( 4.8A)
None
None
AQA  A1338 (-3.2A)
 1.42A 6g31D-3zscA:
undetectable		 6g31D-3zscA:
12.73
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.
6G31_E_ZOLE401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3zsc PECTATE
TRISACCHARIDE-LYASE
(Thermotoga
maritima) 		4 / 4 LEU A 166
ASP A 143
ASP A 117
ARG A 197
 AQA  A1338 ( 4.8A)
None
None
AQA  A1338 (-3.2A)
 1.49A 6g31E-3zscA:
undetectable		 6g31E-3zscA:
12.73