SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NEC'


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.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens) 		4 / 6 HIS A 250
ASN A 253
ILE A 251
PHE A 255
 NEC  A 400 (-4.5A)
NEC  A 400 (-3.5A)
None
None
 0.87A 1xf1B-6gdgA:
undetectable		 1xf1B-6gdgA:
undetectable
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)		 5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens) 		12 / 12 LEU A  85
THR A  88
PHE A 168
GLU A 169
MET A 177
TRP A 246
LEU A 249
ASN A 253
MET A 270
ILE A 274
SER A 277
HIS A 278
 NEC  A 400 (-4.9A)
NEC  A 400 (-3.7A)
NEC  A 400 (-3.6A)
NEC  A 400 (-4.0A)
NEC  A 400 (-4.8A)
None
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
None
NEC  A 400 (-4.6A)
NEC  A 400 (-2.7A)
NEC  A 400 (-3.6A)
 0.30A 2ydoA-5g53A:
38.3		 2ydoA-5g53A:
95.38
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens) 		10 / 12 LEU A  85
THR A  88
MET A 177
TRP A 246
LEU A 249
ASN A 253
MET A 270
ILE A 274
SER A 277
HIS A 278
 NEC  A 400 ( 4.5A)
NEC  A 400 (-3.8A)
NEC  A 400 (-4.3A)
None
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
None
NEC  A 400 (-4.2A)
NEC  A 400 (-3.5A)
NEC  A 400 (-3.7A)
 0.61A 2ydoA-6gdgA:
34.7		 2ydoA-6gdgA:
13.37
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)		 5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens) 		5 / 7 MET A 174
LEU A 249
ASN A 253
MET A 270
ILE A 274
 NEC  A 400 ( 4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
None
NEC  A 400 (-4.6A)
 1.44A 3rfmA-5g53A:
30.6		 3rfmA-5g53A:
91.19
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)		 5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens) 		6 / 7 VAL A  84
PHE A 168
MET A 177
LEU A 249
ASN A 253
ILE A 274
 None
NEC  A 400 (-3.6A)
NEC  A 400 (-4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
NEC  A 400 (-4.6A)
 1.04A 3rfmA-5g53A:
30.6		 3rfmA-5g53A:
91.19
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		 6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens) 		5 / 7 MET A 174
LEU A 249
ASN A 253
MET A 270
ILE A 274
 NEC  A 400 ( 4.7A)
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
None
NEC  A 400 (-4.2A)
 1.40A 3rfmA-6gdgA:
28.6		 3rfmA-6gdgA:
13.11
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		 6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens) 		4 / 7 MET A 177
LEU A 249
ASN A 253
ILE A 274
 NEC  A 400 (-4.3A)
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
NEC  A 400 (-4.2A)
 0.65A 3rfmA-6gdgA:
28.6		 3rfmA-6gdgA:
13.11
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)		 5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens) 		8 / 8 LEU A  85
PHE A 168
GLU A 169
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
 NEC  A 400 (-4.9A)
NEC  A 400 (-3.6A)
NEC  A 400 (-4.0A)
NEC  A 400 (-4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
None
NEC  A 400 (-4.6A)
 0.58A 5mzjA-5g53A:
31.8		 5mzjA-5g53A:
70.31
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens) 		6 / 8 LEU A  85
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
 NEC  A 400 ( 4.5A)
NEC  A 400 (-4.3A)
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
None
NEC  A 400 (-4.2A)
 0.63A 5mzjA-6gdgA:
29.4		 5mzjA-6gdgA:
12.87
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)		 5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens) 		8 / 9 ILE A  66
PHE A 168
GLU A 169
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
 None
NEC  A 400 (-3.6A)
NEC  A 400 (-4.0A)
NEC  A 400 (-4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
None
NEC  A 400 (-4.6A)
 0.48A 5mzpA-5g53A:
31.7		 5mzpA-5g53A:
70.48
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)		 5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens) 		8 / 9 VAL A  84
PHE A 168
GLU A 169
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
 None
NEC  A 400 (-3.6A)
NEC  A 400 (-4.0A)
NEC  A 400 (-4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
None
NEC  A 400 (-4.6A)
 0.82A 5mzpA-5g53A:
31.7		 5mzpA-5g53A:
70.48
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.
5MZP_A_CFFA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens) 		6 / 9 ILE A  66
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
 None
NEC  A 400 (-4.3A)
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
None
NEC  A 400 (-4.2A)
 0.41A 5mzpA-6gdgA:
29.4		 5mzpA-6gdgA:
12.87
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.
6D9H_R_ADNR400_1
(CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1)		 5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens) 		8 / 10 THR A  88
PHE A 168
GLU A 169
MET A 177
LEU A 249
ASN A 253
ILE A 274
HIS A 278
 NEC  A 400 (-3.7A)
NEC  A 400 (-3.6A)
NEC  A 400 (-4.0A)
NEC  A 400 (-4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
NEC  A 400 (-4.6A)
NEC  A 400 (-3.6A)
 0.89A 6d9hR-5g53A:
35.8		 6d9hR-5g53A:
15.38
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)		 5g53 ADENOSINE RECEPTOR
A2A
(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
NEC  A 400 (-3.7A)
NEC  A 400 (-3.6A)
NEC  A 400 (-4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
NEC  A 400 (-4.6A)
NEC  A 400 (-3.6A)
 0.45A 6d9hR-5g53A:
35.8		 6d9hR-5g53A:
15.38
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)		 6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens) 		7 / 10 VAL A  84
THR A  88
MET A 177
LEU A 249
ASN A 253
ILE A 274
HIS A 278
 None
NEC  A 400 (-3.8A)
NEC  A 400 (-4.3A)
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
NEC  A 400 (-4.2A)
NEC  A 400 (-3.7A)
 0.67A 6d9hR-6gdgA:
35.2		 6d9hR-6gdgA:
18.39