SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4k00'

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.	1AGM_A_ACRA496_2 (GLUCOAMYLASE-471)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	4 / 5	SER A 62 TRP A 37 LEU A 124 TRP A 128	None	1.26A	1agmA-4k00A: undetectable	1agmA-4k00A: 13.46
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.	1GAH_A_ACRA497_2 (GLUCOAMYLASE-471)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	4 / 6	SER A 62 TRP A 37 LEU A 124 TRP A 128	None	1.15A	1gahA-4k00A: undetectable	1gahA-4k00A: 12.68
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.	3U9F_E_CLME221_1 (CHLORAMPHENICOL ACETYLTRANSFERASE)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	3 / 3	PHE A 89 CYH A 91 HIS A 111	None	0.98A	3u9fF-4k00A: undetectable	3u9fF-4k00A: 22.08
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.	3U9F_I_CLMI221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	3 / 3	PHE A 89 CYH A 91 HIS A 111	None	1.00A	3u9fG-4k00A: undetectable	3u9fG-4k00A: 22.08
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.	3U9F_K_CLMK221_1 (CHLORAMPHENICOL ACETYLTRANSFERASE)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	3 / 3	PHE A 89 CYH A 91 HIS A 111	None	0.99A	3u9fL-4k00A: undetectable	3u9fL-4k00A: 22.08
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.	3U9F_R_CLMR221_1 (CHLORAMPHENICOL ACETYLTRANSFERASE)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	3 / 3	PHE A 89 CYH A 91 HIS A 111	None	0.94A	3u9fS-4k00A: undetectable	3u9fS-4k00A: 22.08
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.	4J7X_J_SASJ804_1 (SEPIAPTERIN REDUCTASE)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	5 / 12	LEU A 38 CYH A 91 TRP A 37 TYR A 34 ASP A 134	None	1.37A	4j7xJ-4k00A: undetectable	4j7xJ-4k00A: 19.08
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.	5DZK_U_BEZU801_0 (ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 BEZ-LEU-LEU)	4k00	1,4-DIHYDROXY-2-NAPH THOYL-COA HYDROLASE (Synechocystis sp. PCC 6803)	4 / 6	PHE A 89 SER A 85 ALA A 84 HIS A 87	None	1.29A	5dzkg-4k00A: undetectable 5dzku-4k00A: undetectable	5dzkg-4k00A: 20.47 5dzku-4k00A: 2.53

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1AGM_A_ACRA496_2","GLUCOAMYLASE-471","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",4,"SER A  62;TRP A  37;LEU A 124;TRP A 128","None","1.26A","1agmA-4k00A:undetectable","1agmA-4k00A:13.46"],["1GAH_A_ACRA497_2","GLUCOAMYLASE-471","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",4,"SER A  62;TRP A  37;LEU A 124;TRP A 128","None","1.15A","1gahA-4k00A:undetectable","1gahA-4k00A:12.68"],["3U9F_E_CLME221_1","CHLORAMPHENICOL ACETYLTRANSFERASE","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",3,"PHE A  89;CYH A  91;HIS A 111","None","0.98A","3u9fF-4k00A:undetectable","3u9fF-4k00A:22.08"],["3U9F_I_CLMI221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",3,"PHE A  89;CYH A  91;HIS A 111","None","1.00A","3u9fG-4k00A:undetectable","3u9fG-4k00A:22.08"],["3U9F_K_CLMK221_1","CHLORAMPHENICOL ACETYLTRANSFERASE","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",3,"PHE A  89;CYH A  91;HIS A 111","None","0.99A","3u9fL-4k00A:undetectable","3u9fL-4k00A:22.08"],["3U9F_R_CLMR221_1","CHLORAMPHENICOL ACETYLTRANSFERASE","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",3,"PHE A  89;CYH A  91;HIS A 111","None","0.94A","3u9fS-4k00A:undetectable","3u9fS-4k00A:22.08"],["4J7X_J_SASJ804_1","SEPIAPTERIN REDUCTASE","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",5,"LEU A  38;CYH A  91;TRP A  37;TYR A  34;ASP A 134","None","1.37A","4j7xJ-4k00A:undetectable","4j7xJ-4k00A:19.08"],["5DZK_U_BEZU801_0","ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2;BEZ-LEU-LEU","4k00","1,4-DIHYDROXY-2-NAPHTHOYL-COA HYDROLASE","Synechocystis sp. PCC 6803",4,"PHE A  89;SER A  85;ALA A  84;HIS A  87","None","1.29A","5dzkg-4k00A:undetectable;5dzku-4k00A:undetectable","5dzkg-4k00A:20.47;5dzku-4k00A:2.53"]]