SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'C1P'

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 (%)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	7 / 10	GLN A 45 GLY A 49 SER A 50 PHE A 54 SER A 55 ALA A 184 GLY A 91	C1P A 300 (-3.2A) C1P A 300 (-3.6A) None None None C1P A 300 ( 4.1A) C1P A 300 (-3.2A)	1.30A	1stfE-3bwkA: 28.4 1stfI-3bwkA: undetectable	1stfE-3bwkA: 34.92 1stfI-3bwkA: 15.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1STF_E_CCSE25_0 (PAPAIN STEFIN B (CYSTATIN B))	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	8 / 10	GLN A 45 GLY A 49 SER A 50 TRP A 52 PHE A 54 SER A 55 HIS A 183 ALA A 184	C1P A 300 (-3.2A) C1P A 300 (-3.6A) None None None None C1P A 300 (-3.7A) C1P A 300 ( 4.1A)	0.29A	1stfE-3bwkA: 28.4 1stfI-3bwkA: undetectable	1stfE-3bwkA: 34.92 1stfI-3bwkA: 15.45
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.	2XYT_D_TC9D1206_1 (SOLUBLE ACETYLCHOLINE RECEPTOR)	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	4 / 7	TRP A 215 TYR A 173 GLU A 221 TYR A 168	C1P A 300 (-4.0A) None None None	1.31A	2xytD-3bwkA: 0.0	2xytD-3bwkA: 18.65
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.	2XYT_G_TC9G1206_1 (SOLUBLE ACETYLCHOLINE RECEPTOR)	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	4 / 7	TRP A 215 TYR A 173 GLU A 221 TYR A 168	C1P A 300 (-4.0A) None None None	1.46A	2xytG-3bwkA: 0.0	2xytG-3bwkA: 18.65
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.	3AI8_A_HNQA255_1 (CATHEPSIN B)	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	4 / 7	GLN A 45 GLY A 49 HIS A 183 TRP A 215	C1P A 300 (-3.2A) C1P A 300 (-3.6A) C1P A 300 (-3.7A) C1P A 300 (-4.0A)	0.41A	3ai8A-3bwkA: 25.0	3ai8A-3bwkA: 27.11
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.	4MDB_A_RLTA401_1 (MARINER MOS1 TRANSPOSASE)	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	4 / 6	ASP A 163 ASN A 182 ALA A 160 ASP A 164	None C1P A 300 (-3.6A) None None	1.11A	4mdbA-3bwkA: undetectable	4mdbA-3bwkA: 20.47
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.	5L66_K_BO2K301_1 (PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	5 / 10	ALA A 53 SER A 56 GLY A 91 ASP A 100 SER A 83	None None C1P A 300 (-3.2A) None None	1.23A	5l66K-3bwkA: undetectable 5l66L-3bwkA: undetectable	5l66K-3bwkA: 22.71 5l66L-3bwkA: 21.26
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.	5L66_Y_BO2Y301_1 (PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	3bwk	CYSTEINE PROTEASE FALCIPAIN-3 (Plasmodium falciparum)	5 / 10	ALA A 53 SER A 56 GLY A 91 ASP A 100 SER A 83	None None C1P A 300 (-3.2A) None None	1.24A	5l66Y-3bwkA: undetectable 5l66Z-3bwkA: undetectable	5l66Y-3bwkA: 22.71 5l66Z-3bwkA: 21.26

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",7,"GLN A  45;GLY A  49;SER A  50;PHE A  54;SER A  55;ALA A 184;GLY A  91","C1P A 300 (-3.2A);C1P A 300 (-3.6A);None;None;None;C1P A 300 ( 4.1A);C1P A 300 (-3.2A)","1.30A","1stfE-3bwkA:28.4;1stfI-3bwkA:undetectable",null],["1STF_E_CCSE25_0","PAPAIN;STEFIN B (CYSTATIN B)","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",8,"GLN A  45;GLY A  49;SER A  50;TRP A  52;PHE A  54;SER A  55;HIS A 183;ALA A 184","C1P A 300 (-3.2A);C1P A 300 (-3.6A);None;None;None;None;C1P A 300 (-3.7A);C1P A 300 ( 4.1A)","0.29A","1stfE-3bwkA:28.4;1stfI-3bwkA:undetectable","1stfE-3bwkA:34.92;1stfI-3bwkA:15.45"],["2XYT_D_TC9D1206_1","SOLUBLE ACETYLCHOLINE RECEPTOR","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",4,"TRP A 215;TYR A 173;GLU A 221;TYR A 168","C1P A 300 (-4.0A);None;None;None","1.31A","2xytD-3bwkA:0.0","1stfE-3bwkA:34.92;1stfI-3bwkA:15.45"],["2XYT_G_TC9G1206_1","SOLUBLE ACETYLCHOLINE RECEPTOR","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",4,"TRP A 215;TYR A 173;GLU A 221;TYR A 168","C1P A 300 (-4.0A);None;None;None","1.46A","2xytG-3bwkA:0.0","2xytD-3bwkA:18.65"],["3AI8_A_HNQA255_1","CATHEPSIN B","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",4,"GLN A  45;GLY A  49;HIS A 183;TRP A 215","C1P A 300 (-3.2A);C1P A 300 (-3.6A);C1P A 300 (-3.7A);C1P A 300 (-4.0A)","0.41A","3ai8A-3bwkA:25.0","2xytG-3bwkA:18.65"],["4MDB_A_RLTA401_1","MARINER MOS1 TRANSPOSASE","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",4,"ASP A 163;ASN A 182;ALA A 160;ASP A 164","None;C1P A 300 (-3.6A);None;None","1.11A","4mdbA-3bwkA:undetectable","3ai8A-3bwkA:27.11"],["5L66_K_BO2K301_1","PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",5,"ALA A  53;SER A  56;GLY A  91;ASP A 100;SER A  83","None;None;C1P A 300 (-3.2A);None;None","1.23A","5l66K-3bwkA:undetectable;5l66L-3bwkA:undetectable","4mdbA-3bwkA:20.47"],["5L66_Y_BO2Y301_1","PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","3bwk","CYSTEINE PROTEASE FALCIPAIN-3","Plasmodium falciparum",5,"ALA A  53;SER A  56;GLY A  91;ASP A 100;SER A  83","None;None;C1P A 300 (-3.2A);None;None","1.24A","5l66Y-3bwkA:undetectable;5l66Z-3bwkA:undetectable","5l66K-3bwkA:22.71;5l66L-3bwkA:21.26"]]