SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1p9s'

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.
1W5U_B_DVAB8_0
(GRAMICIDIN D)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		3 / 3 VAL A  36
VAL A  17
TRP A  31
 None
 0.92A 1w5uA-1p9sA:
undetectable
1w5uB-1p9sA:
undetectable		 1w5uA-1p9sA:
7.64
1w5uB-1p9sA:
7.64
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.
2IZQ_C_DVAC8_0
(GRAMICIDIN D)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		3 / 3 VAL A  17
TRP A  31
VAL A  36
 None
 0.95A 2izqC-1p9sA:
undetectable
2izqD-1p9sA:
undetectable		 2izqC-1p9sA:
7.64
2izqD-1p9sA:
7.64
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		5 / 12 ARG A 103
GLU A 157
TYR A 181
TYR A 160
ASN A 150
 None
 1.45A 3bjmA-1p9sA:
2.0		 3bjmA-1p9sA:
16.87
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		5 / 12 ARG A 103
GLU A 157
TYR A 181
TYR A 160
ASN A 150
 None
 1.36A 3g0bC-1p9sA:
undetectable		 3g0bC-1p9sA:
16.87
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		5 / 12 ARG A 103
GLU A 157
TYR A 181
TYR A 160
ASN A 150
 None
 1.37A 3g0bD-1p9sA:
undetectable		 3g0bD-1p9sA:
16.87
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		5 / 10 ALA A   7
PHE A 125
ILE A 135
ILE A 113
TYR A 149
 None
 1.22A 3qgtB-1p9sA:
undetectable		 3qgtB-1p9sA:
18.60
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		5 / 10 SER A 138
ILE A 135
VAL A 127
ALA A 115
ILE A 113
 None
 1.03A 4lbgA-1p9sA:
undetectable		 4lbgA-1p9sA:
22.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		4 / 4 THR A  25
LEU A  27
HIS A  41
GLY A 142
 None
None
DIO  A 301 (-3.7A)
None
 0.51A 5gwyA-1p9sA:
42.1		 5gwyA-1p9sA:
69.28