SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4mdk'

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.	2KOT_A_ANWA99_0 (PROTEIN S100-A13)	4mdk	UBIQUITIN-CONJUGATIN G ENZYME E2 R1 (Homo sapiens)	4 / 7	VAL A 30 THR A 31 ARG A 61 LYS A 63	None	1.24A	2kotA-4mdkA: undetectable	2kotA-4mdkA: 19.10
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.	3ROD_A_NCAA302_0 (NICOTINAMIDE N-METHYLTRANSFERASE)	4mdk	UBIQUITIN-CONJUGATIN G ENZYME E2 R1 (Homo sapiens)	4 / 8	ALA A 12 SER A 8 TYR A 70 TYR A 68	None	1.12A	3rodA-4mdkA: undetectable	3rodA-4mdkA: 19.86
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.	3WHX_B_XPGB301_1 (MAB FAB H FRAGMENT MAB FAB L FRAGMENT)	4mdk	UBIQUITIN-CONJUGATIN G ENZYME E2 R1 (Homo sapiens)	5 / 12	PHE A 58 VAL A 30 TYR A 53 HIS A 83 LEU A 124	U94 A 201 (-4.2A) None U94 A 201 (-4.0A) None None	1.46A	3whxA-4mdkA: undetectable 3whxB-4mdkA: undetectable	3whxA-4mdkA: 21.24 3whxB-4mdkA: 21.97
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.	6CDU_G_EY4G502_0 (CHIMERIC ALPHA1GABAA RECEPTOR)	4mdk	UBIQUITIN-CONJUGATIN G ENZYME E2 R1 (Homo sapiens)	4 / 8	ILE A 165 GLN A 168 VAL A 169 TYR A 57	None	0.86A	6cduG-4mdkA: undetectable 6cduH-4mdkA: undetectable	6cduG-4mdkA: 20.73 6cduH-4mdkA: 20.73

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2KOT_A_ANWA99_0","PROTEIN S100-A13","4mdk","UBIQUITIN-CONJUGATING ENZYME E2 R1","Homo sapiens",4,"VAL A  30;THR A  31;ARG A  61;LYS A  63","None","1.24A","2kotA-4mdkA:undetectable","2kotA-4mdkA:19.10"],["3ROD_A_NCAA302_0","NICOTINAMIDE N-METHYLTRANSFERASE","4mdk","UBIQUITIN-CONJUGATING ENZYME E2 R1","Homo sapiens",4,"ALA A  12;SER A   8;TYR A  70;TYR A  68","None","1.12A","3rodA-4mdkA:undetectable","3rodA-4mdkA:19.86"],["3WHX_B_XPGB301_1","MAB FAB H FRAGMENT;MAB FAB L FRAGMENT","4mdk","UBIQUITIN-CONJUGATING ENZYME E2 R1","Homo sapiens",5,"PHE A  58;VAL A  30;TYR A  53;HIS A  83;LEU A 124","U94 A 201 (-4.2A);None;U94 A 201 (-4.0A);None;None","1.46A","3whxA-4mdkA:undetectable;3whxB-4mdkA:undetectable","3whxA-4mdkA:21.24;3whxB-4mdkA:21.97"],["6CDU_G_EY4G502_0","CHIMERIC ALPHA1GABAA RECEPTOR","4mdk","UBIQUITIN-CONJUGATING ENZYME E2 R1","Homo sapiens",4,"ILE A 165;GLN A 168;VAL A 169;TYR A  57","None","0.86A","6cduG-4mdkA:undetectable;6cduH-4mdkA:undetectable","6cduG-4mdkA:20.73;6cduH-4mdkA:20.73"]]