SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2w0s'

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.	2NYU_A_SAMA201_0 (PUTATIVE RIBOSOMAL RNA METHYLTRANSFERASE 2)	2w0s	THYMIDYLATE KINASE (Vaccinia virus)	5 / 12	SER A 112 ALA A 104 GLY A 106 ALA A 107 LEU A 154	None	0.90A	2nyuA-2w0sA: undetectable	2nyuA-2w0sA: 22.81
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.	3APV_B_TP0B190_1 (ALPHA-1-ACID GLYCOPROTEIN 2)	2w0s	THYMIDYLATE KINASE (Vaccinia virus)	5 / 12	LEU A 53 GLU A 142 ARG A 41 SER A 97 TYR A 101	BVP A1207 ( 4.6A) MG A1206 (-4.3A) BVP A1207 (-3.7A) BVP A1207 ( 4.2A) BVP A1207 (-3.7A)	1.40A	3apvB-2w0sA: undetectable	3apvB-2w0sA: 24.55
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.	4A7A_B_RGZB601_1 (AMINE OXIDASE [FLAVIN-CONTAINING] B)	2w0s	THYMIDYLATE KINASE (Vaccinia virus)	5 / 12	PRO A 120 LEU A 6 LEU A 89 LEU A 36 ILE A 79	None	1.00A	4a7aB-2w0sA: undetectable	4a7aB-2w0sA: 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.	5GLM_A_ACTA613_0 (GLYCOSIDE HYDROLASE FAMILY 43)	2w0s	THYMIDYLATE KINASE (Vaccinia virus)	3 / 3	ASP A 13 SER A 97 TYR A 101	MG A1206 ( 3.4A) BVP A1207 ( 4.2A) BVP A1207 (-3.7A)	0.84A	5glmA-2w0sA: undetectable	5glmA-2w0sA: 19.44

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2NYU_A_SAMA201_0","PUTATIVE RIBOSOMAL RNA METHYLTRANSFERASE 2","2w0s","THYMIDYLATE KINASE","Vaccinia virus",5,"SER A 112;ALA A 104;GLY A 106;ALA A 107;LEU A 154","None","0.90A","2nyuA-2w0sA:undetectable","2nyuA-2w0sA:22.81"],["3APV_B_TP0B190_1","ALPHA-1-ACID GLYCOPROTEIN 2","2w0s","THYMIDYLATE KINASE","Vaccinia virus",5,"LEU A  53;GLU A 142;ARG A  41;SER A  97;TYR A 101","BVP A1207 ( 4.6A); MG A1206 (-4.3A);BVP A1207 (-3.7A);BVP A1207 ( 4.2A);BVP A1207 (-3.7A)","1.40A","3apvB-2w0sA:undetectable","3apvB-2w0sA:24.55"],["4A7A_B_RGZB601_1","AMINE OXIDASE [FLAVIN-CONTAINING] B","2w0s","THYMIDYLATE KINASE","Vaccinia virus",5,"PRO A 120;LEU A   6;LEU A  89;LEU A  36;ILE A  79","None","1.00A","4a7aB-2w0sA:undetectable","4a7aB-2w0sA:17.15"],["5GLM_A_ACTA613_0","GLYCOSIDE HYDROLASE FAMILY 43","2w0s","THYMIDYLATE KINASE","Vaccinia virus",3,"ASP A  13;SER A  97;TYR A 101"," MG A1206 ( 3.4A);BVP A1207 ( 4.2A);BVP A1207 (-3.7A)","0.84A","5glmA-2w0sA:undetectable","5glmA-2w0sA:19.44"]]