SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qak'

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.
1KI7_A_ID2A1_0
(THYMIDINE KINASE)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Homo
sapiens;
Escherichia
virus
T4) 		5 / 12 HIS A 278
ILE A  64
TYR A   9
ALA A  81
GLU A  13
 UKA  A1200 (-3.9A)
None
None
None
None
 1.41A 1ki7A-3qakA:
undetectable		 1ki7A-3qakA:
20.78
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 12 LEU A 208
MET A1006
THR A1152
THR A1155
GLY A1156
 None
 1.15A 2uvnA-3qakA:
undetectable		 2uvnA-3qakA:
22.29
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 8 THR A1034
TYR A1025
ILE A1017
SER A1036
 None
 1.07A 2xytE-3qakA:
undetectable		 2xytE-3qakA:
17.15
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 8 THR A1034
TYR A1025
ILE A1017
SER A1036
 None
 1.03A 2xytH-3qakA:
undetectable		 2xytH-3qakA:
17.15
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 7 THR A1034
TYR A1025
ILE A1017
SER A1036
 None
 1.06A 2xytI-3qakA:
undetectable		 2xytI-3qakA:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 12 LEU A  85
THR A  88
PHE A 168
GLU A 169
MET A 177
 UKA  A1200 (-4.8A)
UKA  A1200 (-3.6A)
UKA  A1200 (-3.4A)
UKA  A1200 (-2.7A)
UKA  A1200 (-4.8A)
 1.14A 2ydoA-3qakA:
39.0		 2ydoA-3qakA:
64.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		10 / 12 LEU A  85
THR A  88
PHE A 168
MET A 177
TRP A 246
LEU A 249
ASN A 253
ILE A 274
SER A 277
HIS A 278
 UKA  A1200 (-4.8A)
UKA  A1200 (-3.6A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
None
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
UKA  A1200 (-2.9A)
UKA  A1200 (-3.9A)
 0.31A 2ydoA-3qakA:
39.0		 2ydoA-3qakA:
64.09
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Homo
sapiens;
Escherichia
virus
T4) 		3 / 3 CYH A 254
PHE A 257
PHE A 258
 None
 0.58A 3cr5X-3qakA:
undetectable		 3cr5X-3qakA:
11.04
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 12 ILE A 287
LEU A 235
ALA A 236
ILE A  98
LEU A  95
 None
 1.10A 3dauA-3qakA:
undetectable		 3dauA-3qakA:
15.91
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 6 THR A1034
TYR A1025
ILE A1017
SER A1036
 None
 1.27A 3peoG-3qakA:
undetectable		 3peoG-3qakA:
17.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		6 / 7 VAL A  84
PHE A 168
MET A 177
LEU A 249
ASN A 253
ILE A 274
 None
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
 1.00A 3rfmA-3qakA:
31.9		 3rfmA-3qakA:
65.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		6 / 8 LEU A  85
PHE A 168
MET A 177
LEU A 249
ASN A 253
ILE A 274
 UKA  A1200 (-4.8A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
 0.60A 5mzjA-3qakA:
33.4		 5mzjA-3qakA:
69.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZP_A_CFFA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		6 / 9 ILE A  66
PHE A 168
MET A 177
LEU A 249
ASN A 253
ILE A 274
 UKA  A1200 (-4.1A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
 0.46A 5mzpA-3qakA:
33.3		 5mzpA-3qakA:
69.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZP_A_CFFA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		6 / 9 VAL A  84
PHE A 168
MET A 177
LEU A 249
ASN A 253
ILE A 274
 None
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
 0.86A 5mzpA-3qakA:
33.3		 5mzpA-3qakA:
69.90
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 4 ASN A  24
SER A  91
ALA A  49
VAL A  46
 None
 1.21A 5nm5A-3qakA:
undetectable		 5nm5A-3qakA:
20.86
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.
5QH8_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Homo
sapiens;
Escherichia
virus
T4) 		3 / 3 CYH A  82
MET A 140
ASN A 144
 None
 1.36A 5qh8A-3qakA:
undetectable		 5qh8A-3qakA:
18.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Homo
sapiens;
Escherichia
virus
T4) 		5 / 6 ASN A  39
THR A  41
ASN A  42
ARG A 102
GLU A 294
 None
 0.67A 5uigA-3qakA:
31.3		 5uigA-3qakA:
71.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Homo
sapiens;
Escherichia
virus
T4) 		5 / 6 ASN A  39
THR A  41
ASN A  42
ILE A 292
GLU A 294
 None
 0.51A 5uigA-3qakA:
31.3		 5uigA-3qakA:
71.57
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 4 PHE A 180
LEU A  96
LEU A 131
VAL A 188
 None
 1.32A 5xxiA-3qakA:
undetectable		 5xxiA-3qakA:
21.55
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.
6D9H_R_ADNR400_1
(CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		6 / 10 VAL A  84
THR A  88
PHE A 168
GLU A 169
MET A 177
HIS A 278
 None
UKA  A1200 (-3.6A)
UKA  A1200 (-3.4A)
UKA  A1200 (-2.7A)
UKA  A1200 (-4.8A)
UKA  A1200 (-3.9A)
 0.97A 6d9hR-3qakA:
33.3		 6d9hR-3qakA:
11.19
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.
6D9H_R_ADNR400_1
(CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1)		 3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens) 		8 / 10 VAL A  84
THR A  88
PHE A 168
MET A 177
LEU A 249
ASN A 253
ILE A 274
HIS A 278
 None
UKA  A1200 (-3.6A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
UKA  A1200 (-3.9A)
 0.54A 6d9hR-3qakA:
33.3		 6d9hR-3qakA:
11.19