SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wmd'

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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		4 / 6 LEU A 254
ILE A 300
ASP A 295
PRO A 293
 None
 1.22A 1ditH-4wmdA:
11.9
1ditP-4wmdA:
undetectable		 1ditH-4wmdA:
19.63
1ditP-4wmdA:
4.39
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.
1XOM_B_CIOB601_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 TYR A  54
MET A  25
LEU A  49
THR A  88
GLN A 167
 None
None
PGE  A 402 ( 4.8A)
None
None
 1.47A 1xomB-4wmdA:
undetectable		 1xomB-4wmdA:
21.58
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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		4 / 8 SER A 147
TYR A 164
HIS A 175
HIS A 166
 PGE  A 402 ( 3.9A)
None
None
PGE  A 402 (-4.6A)
 1.31A 2bteA-4wmdA:
undetectable		 2bteA-4wmdA:
15.11
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.
2BTE_D_LEUD1893_0
(AMINOACYL-TRNA
SYNTHETASE)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		4 / 8 SER A 147
TYR A 164
HIS A 175
HIS A 166
 PGE  A 402 ( 3.9A)
None
None
PGE  A 402 (-4.6A)
 1.32A 2bteD-4wmdA:
undetectable		 2bteD-4wmdA:
15.11
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 TYR A  54
MET A  25
LEU A  49
THR A  88
GLN A 167
 None
None
PGE  A 402 ( 4.8A)
None
None
 1.50A 3g4lD-4wmdA:
undetectable		 3g4lD-4wmdA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		3 / 3 ARG A 134
ASP A 200
TYR A 202
 PEG  A 401 ( 4.6A)
PEG  A 401 (-4.3A)
PEG  A 401 ( 4.2A)
 0.39A 4yo9B-4wmdA:
43.6		 4yo9B-4wmdA:
80.72
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.
5U6M_A_SALA503_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		4 / 7 PHE A 188
GLN A 197
MET A 133
THR A 174
 None
 1.15A 5u6mA-4wmdA:
undetectable		 5u6mA-4wmdA:
20.13
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 4wmd ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		3 / 3 TYR A  54
HIS A  41
MET A 168
 None
PGE  A 402 ( 4.2A)
PGE  A 402 ( 4.8A)
 1.03A 6af6A-4wmdA:
undetectable		 6af6A-4wmdA:
21.32