SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2e50'

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 (%)	View	Dock
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.	1KGL_A_RTLA175_0 (CELLULAR RETINOL-BINDING PROTEIN TYPE I)	2e50	PROTEIN SET (Homo sapiens)	5 / 12	PHE A 189 SER A 155 GLY A 205 ILE A 208 LEU A 107	None	1.14A	1kglA-2e50A: undetectable	1kglA-2e50A: 17.98
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.	3CD2_A_MTXA307_1 (DIHYDROFOLATE REDUCTASE)	2e50	PROTEIN SET (Homo sapiens)	5 / 12	ILE A 212 LEU A 107 SER A 93 LEU A 204 ILE A 208	None	1.13A	3cd2A-2e50A: undetectable	3cd2A-2e50A: 20.63
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.	3T3R_B_9PLB501_1 (CYTOCHROME P450 2A6)	2e50	PROTEIN SET (Homo sapiens)	5 / 9	PHE A 86 PHE A 126 ILE A 208 GLY A 205 PHE A 189	None	1.32A	3t3rB-2e50A: undetectable	3t3rB-2e50A: 17.82
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.	3T3R_C_9PLC501_1 (CYTOCHROME P450 2A6)	2e50	PROTEIN SET (Homo sapiens)	5 / 9	PHE A 86 PHE A 126 ILE A 208 GLY A 205 PHE A 189	None	1.34A	3t3rC-2e50A: undetectable	3t3rC-2e50A: 17.82
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.	3UQB_A_FK5A114_1 (UBIQUITIN-LIKE PROTEIN SMT3, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE)	2e50	PROTEIN SET (Homo sapiens)	4 / 8	PHE A 81 ILE A 212 ILE A 124 PHE A 86	None	0.90A	3uqbA-2e50A: undetectable	3uqbA-2e50A: 21.29

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1KGL_A_RTLA175_0","CELLULAR RETINOL-BINDING PROTEIN TYPE I","2e50","PROTEIN SET","Homo sapiens",5,"PHE A 189;SER A 155;GLY A 205;ILE A 208;LEU A 107","None","1.14A","1kglA-2e50A:undetectable","1kglA-2e50A:17.98"],["3CD2_A_MTXA307_1","DIHYDROFOLATE REDUCTASE","2e50","PROTEIN SET","Homo sapiens",5,"ILE A 212;LEU A 107;SER A  93;LEU A 204;ILE A 208","None","1.13A","3cd2A-2e50A:undetectable","3cd2A-2e50A:20.63"],["3T3R_B_9PLB501_1","CYTOCHROME P450 2A6","2e50","PROTEIN SET","Homo sapiens",5,"PHE A  86;PHE A 126;ILE A 208;GLY A 205;PHE A 189","None","1.32A","3t3rB-2e50A:undetectable","3t3rB-2e50A:17.82"],["3T3R_C_9PLC501_1","CYTOCHROME P450 2A6","2e50","PROTEIN SET","Homo sapiens",5,"PHE A  86;PHE A 126;ILE A 208;GLY A 205;PHE A 189","None","1.34A","3t3rC-2e50A:undetectable","3t3rC-2e50A:17.82"],["3UQB_A_FK5A114_1","UBIQUITIN-LIKE PROTEIN SMT3, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE","2e50","PROTEIN SET","Homo sapiens",4,"PHE A  81;ILE A 212;ILE A 124;PHE A  86","None","0.90A","3uqbA-2e50A:undetectable","3uqbA-2e50A:21.29"]]