SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4bsq'

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.	1C4D_A_DVAA6_0 (GRAMICIDIN A)	4bsq	CATHEPSIN S (Mus musculus)	3 / 3	ALA A 155 VAL A 292 TRP A 129	None	1.00A	1c4dA-4bsqA: undetectable 1c4dB-4bsqA: undetectable	1c4dA-4bsqA: 6.96 1c4dB-4bsqA: 6.96
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.	2X2I_B_QPSB1060_1 (ALPHA-1,4-GLUCAN LYASE ISOZYME 1)	4bsq	CATHEPSIN S (Mus musculus)	5 / 10	PHE A 150 ASN A 186 GLY A 191 ALA A 146 GLN A 141	None None QQV A1341 (-3.1A) None QQV A1341 (-3.3A)	1.33A	2x2iB-4bsqA: undetectable	2x2iB-4bsqA: 12.89
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.	2X2I_B_QPSB1060_1 (ALPHA-1,4-GLUCAN LYASE ISOZYME 1)	4bsq	CATHEPSIN S (Mus musculus)	5 / 10	SER A 151 SER A 258 GLY A 191 ALA A 146 GLN A 141	None None QQV A1341 (-3.1A) None QQV A1341 (-3.3A)	1.46A	2x2iB-4bsqA: undetectable	2x2iB-4bsqA: 12.89
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.	3PEO_F_CU9F301_2 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4bsq	CATHEPSIN S (Mus musculus)	4 / 6	GLN A 238 TYR A 236 ILE A 202 SER A 336	None None SO4 A1345 (-4.3A) None	1.13A	3peoG-4bsqA: undetectable	3peoG-4bsqA: 21.78
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.	3PEO_J_CU9J301_1 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4bsq	CATHEPSIN S (Mus musculus)	5 / 11	GLN A 238 TYR A 236 ILE A 202 SER A 258 SER A 336	None None SO4 A1345 (-4.3A) None None	1.26A	3peoI-4bsqA: 0.0 3peoJ-4bsqA: 0.0	3peoI-4bsqA: 21.78 3peoJ-4bsqA: 21.78
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.	3PGL_A_RZXA257_1 (CARBOXY-TERMINAL DOMAIN RNA POLYMERASE II POLYPEPTIDE A SMALL PHOSPHATASE 1)	4bsq	CATHEPSIN S (Mus musculus)	4 / 7	VAL A 285 ILE A 261 SER A 336 TYR A 334	QQV A1341 (-4.2A) None None QQV A1341 (-3.5A)	0.94A	3pglA-4bsqA: undetectable	3pglA-4bsqA: 20.41
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.	4QD3_A_5AEA201_1 (PEPTIDYL-TRNA HYDROLASE)	4bsq	CATHEPSIN S (Mus musculus)	5 / 9	LEU A 247 GLY A 293 VAL A 257 SER A 258 VAL A 259	None	1.17A	4qd3A-4bsqA: undetectable	4qd3A-4bsqA: 21.98
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.	5MLM_A_STRA401_1 (-)	4bsq	CATHEPSIN S (Mus musculus)	5 / 12	PHE A 198 ILE A 201 ALA A 209 VAL A 153 ILE A 207	None	1.45A	5mlmA-4bsqA: undetectable	5mlmA-4bsqA: 20.28
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.	6AWO_A_SREA701_1 (SODIUM-DEPENDENT SEROTONIN TRANSPORTER)	4bsq	CATHEPSIN S (Mus musculus)	5 / 9	ASP A 210 ALA A 152 PHE A 150 SER A 169 GLY A 154	None	1.30A	6awoA-4bsqA: undetectable	6awoA-4bsqA: 16.02
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.	6AWQ_A_SREA701_1 (SODIUM-DEPENDENT SEROTONIN TRANSPORTER)	4bsq	CATHEPSIN S (Mus musculus)	5 / 9	ASP A 210 ALA A 152 PHE A 150 SER A 169 GLY A 154	None	1.30A	6awqA-4bsqA: undetectable	6awqA-4bsqA: 16.02

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1C4D_A_DVAA6_0","GRAMICIDIN A","4bsq","CATHEPSIN S","Mus musculus",3,"ALA A 155;VAL A 292;TRP A 129","None","1.00A","1c4dA-4bsqA:undetectable;1c4dB-4bsqA:undetectable","1c4dA-4bsqA:6.96;1c4dB-4bsqA:6.96"],["2X2I_B_QPSB1060_1","ALPHA-1,4-GLUCAN LYASE ISOZYME 1","4bsq","CATHEPSIN S","Mus musculus",5,"PHE A 150;ASN A 186;GLY A 191;ALA A 146;GLN A 141","None;None;QQV A1341 (-3.1A);None;QQV A1341 (-3.3A)","1.33A","2x2iB-4bsqA:undetectable","2x2iB-4bsqA:12.89"],["2X2I_B_QPSB1060_1","ALPHA-1,4-GLUCAN LYASE ISOZYME 1","4bsq","CATHEPSIN S","Mus musculus",5,"SER A 151;SER A 258;GLY A 191;ALA A 146;GLN A 141","None;None;QQV A1341 (-3.1A);None;QQV A1341 (-3.3A)","1.46A","2x2iB-4bsqA:undetectable","2x2iB-4bsqA:12.89"],["3PEO_F_CU9F301_2","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","4bsq","CATHEPSIN S","Mus musculus",4,"GLN A 238;TYR A 236;ILE A 202;SER A 336","None;None;SO4 A1345 (-4.3A);None","1.13A","3peoG-4bsqA:undetectable","3peoG-4bsqA:21.78"],["3PEO_J_CU9J301_1","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","4bsq","CATHEPSIN S","Mus musculus",5,"GLN A 238;TYR A 236;ILE A 202;SER A 258;SER A 336","None;None;SO4 A1345 (-4.3A);None;None","1.26A","3peoI-4bsqA:0.0;3peoJ-4bsqA:0.0","3peoI-4bsqA:21.78;3peoJ-4bsqA:21.78"],["3PGL_A_RZXA257_1","CARBOXY-TERMINAL DOMAIN RNA POLYMERASE II POLYPEPTIDE A SMALL PHOSPHATASE 1","4bsq","CATHEPSIN S","Mus musculus",4,"VAL A 285;ILE A 261;SER A 336;TYR A 334","QQV A1341 (-4.2A);None;None;QQV A1341 (-3.5A)","0.94A","3pglA-4bsqA:undetectable","3pglA-4bsqA:20.41"],["4QD3_A_5AEA201_1","PEPTIDYL-TRNA HYDROLASE","4bsq","CATHEPSIN S","Mus musculus",5,"LEU A 247;GLY A 293;VAL A 257;SER A 258;VAL A 259","None","1.17A","4qd3A-4bsqA:undetectable","4qd3A-4bsqA:21.98"],["5MLM_A_STRA401_1","-","4bsq","CATHEPSIN S","Mus musculus",5,"PHE A 198;ILE A 201;ALA A 209;VAL A 153;ILE A 207","None","1.45A","5mlmA-4bsqA:undetectable","5mlmA-4bsqA:20.28"],["6AWO_A_SREA701_1","SODIUM-DEPENDENT SEROTONIN TRANSPORTER","4bsq","CATHEPSIN S","Mus musculus",5,"ASP A 210;ALA A 152;PHE A 150;SER A 169;GLY A 154","None","1.30A","6awoA-4bsqA:undetectable","6awoA-4bsqA:16.02"],["6AWQ_A_SREA701_1","SODIUM-DEPENDENT SEROTONIN TRANSPORTER","4bsq","CATHEPSIN S","Mus musculus",5,"ASP A 210;ALA A 152;PHE A 150;SER A 169;GLY A 154","None","1.30A","6awqA-4bsqA:undetectable","6awqA-4bsqA:16.02"]]