SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PDB'

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.	1XLX_A_CIOA101_1 (CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4B)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	5 / 12	HIS A 252 HIS A 296 MET A 365 ASN A 405 PHE A 456	PDB A 600 (-4.6A) None PDB A 600 ( 4.7A) PDB A 600 (-4.4A) PDB A 600 (-3.5A)	0.54A	1xlxA-3qi3A: 41.5	1xlxA-3qi3A: 26.68
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.	2XAD_E_GCSE710_1 (N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE TEICOPLANIN)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	4 / 8	HIS A 292 ASP A 402 ILE A 403 HIS A 256	ZN A 534 (-3.3A) ZN A 534 (-2.7A) PDB A 600 ( 4.3A) ZN A 534 (-3.3A)	0.95A	2xadA-3qi3A: undetectable	2xadA-3qi3A: 20.79
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.	2XAD_F_GCSF710_1 (N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE TEICOPLANIN)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	4 / 8	HIS A 292 ASP A 402 ILE A 403 HIS A 256	ZN A 534 (-3.3A) ZN A 534 (-2.7A) PDB A 600 ( 4.3A) ZN A 534 (-3.3A)	0.99A	2xadB-3qi3A: undetectable	2xadB-3qi3A: 20.79
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.	2XAD_H_GCSH710_1 (N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE TEICOPLANIN)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	4 / 8	HIS A 292 ASP A 402 ILE A 403 HIS A 256	ZN A 534 (-3.3A) ZN A 534 (-2.7A) PDB A 600 ( 4.3A) ZN A 534 (-3.3A)	0.97A	2xadD-3qi3A: undetectable	2xadD-3qi3A: 20.79
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.	3G4L_A_ROFA901_0 (CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	5 / 12	HIS A 252 MET A 365 ASN A 405 TRP A 416 PHE A 456	PDB A 600 (-4.6A) PDB A 600 ( 4.7A) PDB A 600 (-4.4A) None PDB A 600 (-3.5A)	0.58A	3g4lA-3qi3A: 41.8	3g4lA-3qi3A: 24.78
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.	3G4L_B_ROFB902_0 (CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	5 / 12	HIS A 252 MET A 365 ASP A 402 TRP A 416 PHE A 456	PDB A 600 (-4.6A) PDB A 600 ( 4.7A) ZN A 534 (-2.7A) None PDB A 600 (-3.5A)	0.59A	3g4lB-3qi3A: 41.4	3g4lB-3qi3A: 24.78
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.	3G4L_C_ROFC903_0 (CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	5 / 12	HIS A 252 MET A 365 ASP A 402 ASN A 405 TRP A 416	PDB A 600 (-4.6A) PDB A 600 ( 4.7A) ZN A 534 (-2.7A) PDB A 600 (-4.4A) None	0.55A	3g4lC-3qi3A: 41.6	3g4lC-3qi3A: 24.78
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.	3WG7_C_CHDC305_0 (CYTOCHROME C OXIDASE SUBUNIT 3 CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	4 / 6	LEU A 483 PHE A 465 LEU A 461 PHE A 456	None None None PDB A 600 (-3.5A)	1.06A	3wg7C-3qi3A: 3.4 3wg7J-3qi3A: undetectable	3wg7C-3qi3A: 18.44 3wg7J-3qi3A: 7.69
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.	3WG7_P_CHDP306_0 (CYTOCHROME C OXIDASE SUBUNIT 3 CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	4 / 6	LEU A 483 PHE A 465 LEU A 461 PHE A 456	None None None PDB A 600 (-3.5A)	1.04A	3wg7P-3qi3A: 3.4 3wg7W-3qi3A: undetectable	3wg7P-3qi3A: 18.44 3wg7W-3qi3A: 7.69
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.	5OEX_A_CUA604_0 (THIOCYANATE DEHYDROGENASE)	3qi3	HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A (Homo sapiens)	3 / 3	HIS A 256 HIS A 252 HIS A 296	ZN A 534 (-3.3A) PDB A 600 (-4.6A) None	1.02A	5oexA-3qi3A: undetectable	5oexA-3qi3A: 22.48

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1XLX_A_CIOA101_1","CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4B","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",5,"HIS A 252;HIS A 296;MET A 365;ASN A 405;PHE A 456","PDB A 600 (-4.6A);None;PDB A 600 ( 4.7A);PDB A 600 (-4.4A);PDB A 600 (-3.5A)","0.54A","1xlxA-3qi3A:41.5",null],["2XAD_E_GCSE710_1","N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE;TEICOPLANIN","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",4,"HIS A 292;ASP A 402;ILE A 403;HIS A 256"," ZN A 534 (-3.3A); ZN A 534 (-2.7A);PDB A 600 ( 4.3A); ZN A 534 (-3.3A)","0.95A","2xadA-3qi3A:undetectable","1xlxA-3qi3A:26.68"],["2XAD_F_GCSF710_1","N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE;TEICOPLANIN","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",4,"HIS A 292;ASP A 402;ILE A 403;HIS A 256"," ZN A 534 (-3.3A); ZN A 534 (-2.7A);PDB A 600 ( 4.3A); ZN A 534 (-3.3A)","0.99A","2xadB-3qi3A:undetectable","2xadA-3qi3A:20.79"],["2XAD_H_GCSH710_1","N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE;TEICOPLANIN","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",4,"HIS A 292;ASP A 402;ILE A 403;HIS A 256"," ZN A 534 (-3.3A); ZN A 534 (-2.7A);PDB A 600 ( 4.3A); ZN A 534 (-3.3A)","0.97A","2xadD-3qi3A:undetectable","2xadB-3qi3A:20.79"],["3G4L_A_ROFA901_0","CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",5,"HIS A 252;MET A 365;ASN A 405;TRP A 416;PHE A 456","PDB A 600 (-4.6A);PDB A 600 ( 4.7A);PDB A 600 (-4.4A);None;PDB A 600 (-3.5A)","0.58A","3g4lA-3qi3A:41.8","2xadD-3qi3A:20.79"],["3G4L_B_ROFB902_0","CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",5,"HIS A 252;MET A 365;ASP A 402;TRP A 416;PHE A 456","PDB A 600 (-4.6A);PDB A 600 ( 4.7A); ZN A 534 (-2.7A);None;PDB A 600 (-3.5A)","0.59A","3g4lB-3qi3A:41.4","3g4lA-3qi3A:24.78"],["3G4L_C_ROFC903_0","CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",5,"HIS A 252;MET A 365;ASP A 402;ASN A 405;TRP A 416","PDB A 600 (-4.6A);PDB A 600 ( 4.7A); ZN A 534 (-2.7A);PDB A 600 (-4.4A);None","0.55A","3g4lC-3qi3A:41.6","3g4lB-3qi3A:24.78"],["3WG7_C_CHDC305_0","CYTOCHROME C OXIDASE SUBUNIT 3;CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",4,"LEU A 483;PHE A 465;LEU A 461;PHE A 456","None;None;None;PDB A 600 (-3.5A)","1.06A","3wg7C-3qi3A:3.4;3wg7J-3qi3A:undetectable","3g4lC-3qi3A:24.78"],["3WG7_P_CHDP306_0","CYTOCHROME C OXIDASE SUBUNIT 3;CYTOCHROME C OXIDASE SUBUNIT 7A1, MITOCHONDRIAL","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",4,"LEU A 483;PHE A 465;LEU A 461;PHE A 456","None;None;None;PDB A 600 (-3.5A)","1.04A","3wg7P-3qi3A:3.4;3wg7W-3qi3A:undetectable","3wg7C-3qi3A:18.44;3wg7J-3qi3A:7.69"],["5OEX_A_CUA604_0","THIOCYANATE DEHYDROGENASE","3qi3","HIGH AFFINITY CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 9A","Homo sapiens",3,"HIS A 256;HIS A 252;HIS A 296"," ZN A 534 (-3.3A);PDB A 600 (-4.6A);None","1.02A","5oexA-3qi3A:undetectable","3wg7P-3qi3A:18.44;3wg7W-3qi3A:7.69"]]