SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AKA'

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.	1N2X_B_SAMB402_0 (S-ADENOSYL-METHYLTRA NSFERASE MRAW)	1q0z	ACLACINOMYCIN METHYLESTERASE (Streptomyces purpurascens)	5 / 12	THR A 106 GLY A 104 GLY A 31 GLY A 32 VAL A 29	AKA A 600 (-3.8A) None None AKA A 600 (-4.3A) None	0.96A	1n2xB-1q0zA: 3.4	1n2xB-1q0zA: 21.92
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.	3CL9_A_MTXA602_1 (BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE (DHFR-TS))	1q0z	ACLACINOMYCIN METHYLESTERASE (Streptomyces purpurascens)	5 / 12	ALA A 251 ASP A 248 PRO A 279 LEU A 286 PRO A 285	AKA A 600 ( 3.8A) None None None None	1.33A	3cl9A-1q0zA: undetectable	3cl9A-1q0zA: 19.89
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.	5VEU_B_RITB602_1 (CYTOCHROME P450 3A5)	1q0z	ACLACINOMYCIN METHYLESTERASE (Streptomyces purpurascens)	5 / 12	LEU A 101 PHE A 193 ALA A 251 ILE A 185 GLY A 188	1PE A2712 (-4.8A) None AKA A 600 ( 3.8A) None None	0.88A	5veuB-1q0zA: undetectable	5veuB-1q0zA: 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.	5WWS_A_SAMA501_0 (PUTATIVE METHYLTRANSFERASE NSUN6)	1q0z	ACLACINOMYCIN METHYLESTERASE (Streptomyces purpurascens)	5 / 12	ALA A 251 PRO A 252 GLY A 153 GLY A 104 LEU A 34	AKA A 600 ( 3.8A) None None None SO4 A3482 (-4.6A)	1.12A	5wwsA-1q0zA: undetectable	5wwsA-1q0zA: 22.18

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1N2X_B_SAMB402_0","S-ADENOSYL-METHYLTRANSFERASE MRAW","1q0z","ACLACINOMYCIN METHYLESTERASE","Streptomyces purpurascens",5,"THR A 106;GLY A 104;GLY A  31;GLY A  32;VAL A  29","AKA A 600 (-3.8A);None;None;AKA A 600 (-4.3A);None","0.96A","1n2xB-1q0zA:3.4",null],["3CL9_A_MTXA602_1","BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (DHFR-TS)","1q0z","ACLACINOMYCIN METHYLESTERASE","Streptomyces purpurascens",5,"ALA A 251;ASP A 248;PRO A 279;LEU A 286;PRO A 285","AKA A 600 ( 3.8A);None;None;None;None","1.33A","3cl9A-1q0zA:undetectable","1n2xB-1q0zA:21.92"],["5VEU_B_RITB602_1","CYTOCHROME P450 3A5","1q0z","ACLACINOMYCIN METHYLESTERASE","Streptomyces purpurascens",5,"LEU A 101;PHE A 193;ALA A 251;ILE A 185;GLY A 188","1PE A2712 (-4.8A);None;AKA A 600 ( 3.8A);None;None","0.88A","5veuB-1q0zA:undetectable","3cl9A-1q0zA:19.89"],["5WWS_A_SAMA501_0","PUTATIVE METHYLTRANSFERASE NSUN6","1q0z","ACLACINOMYCIN METHYLESTERASE","Streptomyces purpurascens",5,"ALA A 251;PRO A 252;GLY A 153;GLY A 104;LEU A  34","AKA A 600 ( 3.8A);None;None;None;SO4 A3482 (-4.6A)","1.12A","5wwsA-1q0zA:undetectable","5veuB-1q0zA:20.13"]]