SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '0XS'

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 (%)
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.	3QWU_A_ADNA501_1 (DNA LIGASE)	4glx	DNA LIGASE (Escherichia coli)	5 / 12	GLU A 113 LYS A 115 ARG A 136 GLU A 173 VAL A 288	0XS A 603 (-4.0A) 0XS A 603 (-4.3A) None 0XS A 603 (-3.5A) 0XS A 603 (-4.6A)	1.13A	3qwuA-4glxA: 10.1	3qwuA-4glxA: 23.26
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.	3QWU_A_ADNA501_1 (DNA LIGASE)	4glx	DNA LIGASE (Escherichia coli)	5 / 12	GLU A 113 LYS A 115 GLU A 173 VAL A 288 LYS A 290	0XS A 603 (-4.0A) 0XS A 603 (-4.3A) 0XS A 603 (-3.5A) 0XS A 603 (-4.6A) 0XS A 603 (-2.9A)	0.53A	3qwuA-4glxA: 10.1	3qwuA-4glxA: 23.26
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.	3QWU_B_ADNB501_1 (DNA LIGASE)	4glx	DNA LIGASE (Escherichia coli)	5 / 11	GLU A 113 LYS A 115 ARG A 136 GLU A 173 VAL A 288	0XS A 603 (-4.0A) 0XS A 603 (-4.3A) None 0XS A 603 (-3.5A) 0XS A 603 (-4.6A)	0.98A	3qwuB-4glxA: 4.8	3qwuB-4glxA: 23.26
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.	3QWU_B_ADNB501_1 (DNA LIGASE)	4glx	DNA LIGASE (Escherichia coli)	5 / 11	GLU A 113 LYS A 115 GLU A 173 VAL A 288 LYS A 290	0XS A 603 (-4.0A) 0XS A 603 (-4.3A) 0XS A 603 (-3.5A) 0XS A 603 (-4.6A) 0XS A 603 (-2.9A)	0.42A	3qwuB-4glxA: 4.8	3qwuB-4glxA: 23.26

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3QWU_A_ADNA501_1","DNA LIGASE","4glx","DNA LIGASE","Escherichia coli",5,"GLU A 113;LYS A 115;ARG A 136;GLU A 173;VAL A 288","0XS A 603 (-4.0A);0XS A 603 (-4.3A);None;0XS A 603 (-3.5A);0XS A 603 (-4.6A)","1.13A","3qwuA-4glxA:10.1",null],["3QWU_A_ADNA501_1","DNA LIGASE","4glx","DNA LIGASE","Escherichia coli",5,"GLU A 113;LYS A 115;GLU A 173;VAL A 288;LYS A 290","0XS A 603 (-4.0A);0XS A 603 (-4.3A);0XS A 603 (-3.5A);0XS A 603 (-4.6A);0XS A 603 (-2.9A)","0.53A","3qwuA-4glxA:10.1","3qwuA-4glxA:23.26"],["3QWU_B_ADNB501_1","DNA LIGASE","4glx","DNA LIGASE","Escherichia coli",5,"GLU A 113;LYS A 115;ARG A 136;GLU A 173;VAL A 288","0XS A 603 (-4.0A);0XS A 603 (-4.3A);None;0XS A 603 (-3.5A);0XS A 603 (-4.6A)","0.98A","3qwuB-4glxA:4.8","3qwuA-4glxA:23.26"],["3QWU_B_ADNB501_1","DNA LIGASE","4glx","DNA LIGASE","Escherichia coli",5,"GLU A 113;LYS A 115;GLU A 173;VAL A 288;LYS A 290","0XS A 603 (-4.0A);0XS A 603 (-4.3A);0XS A 603 (-3.5A);0XS A 603 (-4.6A);0XS A 603 (-2.9A)","0.42A","3qwuB-4glxA:4.8","3qwuB-4glxA:23.26"]]