SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PAJ'

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.	1C6Y_B_MK1B524_2 (PROTEIN (PROTEASE))	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 12	ALA A 88 ASP A 89 ILE A 53 GLY A 26 THR A 30	None None None None PAJ A 501 (-4.6A)	0.86A	1c6yB-3ag6A: undetectable	1c6yB-3ag6A: 15.55
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.	1C6Y_B_MK1B524_2 (PROTEIN (PROTEASE))	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 12	GLY A 87 ALA A 88 ASP A 89 ILE A 53 THR A 30	None None None None PAJ A 501 (-4.6A)	0.83A	1c6yB-3ag6A: undetectable	1c6yB-3ag6A: 15.55
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.	1FFY_A_MRCA1993_1 (ISOLEUCYL-TRNA SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 12	HIS A 35 GLY A 37 GLY A 148 ASP A 151 VAL A 177	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 (-3.1A) PAJ A 501 (-3.8A) PAJ A 501 (-3.9A)	0.94A	1ffyA-3ag6A: 2.2	1ffyA-3ag6A: 16.87
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.	1PG2_A_ADNA552_1 (METHIONYL-TRNA SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 11	HIS A 35 GLY A 37 HIS A 38 ASP A 151 VAL A 177	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 (-4.2A) PAJ A 501 (-3.8A) PAJ A 501 (-3.9A)	0.74A	1pg2A-3ag6A: 4.9	1pg2A-3ag6A: 19.68
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.	1QU2_A_MRCA1993_1 (ISOLEUCYL-TRNA SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	6 / 12	HIS A 35 GLY A 37 HIS A 38 GLY A 148 ASP A 151 VAL A 177	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 (-4.2A) PAJ A 501 (-3.1A) PAJ A 501 (-3.8A) PAJ A 501 (-3.9A)	1.01A	1qu2A-3ag6A: 2.2	1qu2A-3ag6A: 16.87
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.	1QU3_A_MRCA993_1 (ISOLEUCYL-TRNA SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 12	HIS A 35 GLY A 37 HIS A 38 ASP A 151 VAL A 177	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 (-4.2A) PAJ A 501 (-3.8A) PAJ A 501 (-3.9A)	1.01A	1qu3A-3ag6A: undetectable	1qu3A-3ag6A: 16.87
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.	2X1L_B_ADNB601_1 (METHIONYL-TRNA SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 12	HIS A 35 GLY A 37 HIS A 38 GLY A 148 ASP A 151	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 (-4.2A) PAJ A 501 (-3.1A) PAJ A 501 (-3.8A)	0.98A	2x1lB-3ag6A: 4.7	2x1lB-3ag6A: 20.35
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.	2X1L_C_ADNC601_1 (METHIONYL-TRNA SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 11	HIS A 35 GLY A 37 HIS A 38 GLY A 148 ASP A 151	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 (-4.2A) PAJ A 501 (-3.1A) PAJ A 501 (-3.8A)	1.00A	2x1lC-3ag6A: 6.0	2x1lC-3ag6A: 20.35
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.	3LM8_D_VIBD223_1 (THIAMINE PYROPHOSPHOKINASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	4 / 8	HIS A 38 TYR A 191 LEU A 274 SER A 187	PAJ A 501 (-4.2A) None None None	0.91A	3lm8B-3ag6A: undetectable 3lm8D-3ag6A: 2.3	3lm8B-3ag6A: 23.02 3lm8D-3ag6A: 23.02
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.	3NVC_A_SALA370_1 (GENTISATE 1,2-DIOXYGENASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	4 / 6	GLN A 154 HIS A 38 HIS A 35 ASP A 151	PAJ A 501 (-3.1A) PAJ A 501 (-4.2A) PAJ A 501 (-4.3A) PAJ A 501 (-3.8A)	1.02A	3nvcA-3ag6A: undetectable	3nvcA-3ag6A: 22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3UY4_A_PAUA302_0 (PANTOTHENATE SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	6 / 8	ARG A 122 HIS A 125 VAL A 129 VAL A 133 ASP A 151 ARG A 188	ACY A 801 (-3.2A) ACY A 801 (-4.3A) PAJ A 501 ( 4.5A) None PAJ A 501 (-3.8A) ACY A 801 (-3.2A)	1.39A	3uy4A-3ag6A: 41.2	3uy4A-3ag6A: 43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3UY4_A_PAUA302_0 (PANTOTHENATE SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	8 / 8	GLN A 62 ARG A 122 HIS A 125 VAL A 129 VAL A 132 ASP A 151 GLN A 154 ARG A 188	PAJ A 501 ( 2.9A) ACY A 801 (-3.2A) ACY A 801 (-4.3A) PAJ A 501 ( 4.5A) None PAJ A 501 (-3.8A) PAJ A 501 (-3.1A) ACY A 801 (-3.2A)	0.15A	3uy4A-3ag6A: 41.2	3uy4A-3ag6A: 43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5HG0_A_SAMA301_0 (PANTOTHENATE SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	8 / 12	HIS A 35 GLY A 37 GLN A 62 TYR A 72 VAL A 132 GLY A 148 LYS A 150 ASP A 151	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 ( 2.9A) None None PAJ A 501 (-3.1A) None PAJ A 501 (-3.8A)	0.49A	5hg0A-3ag6A: 32.8	5hg0A-3ag6A: 35.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5HG0_B_SAMB301_0 (PANTOTHENATE SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	6 / 12	GLY A 37 HIS A 35 TYR A 72 GLY A 148 LYS A 150 ASP A 151	PAJ A 501 ( 4.1A) PAJ A 501 (-4.3A) None PAJ A 501 (-3.1A) None PAJ A 501 (-3.8A)	1.46A	5hg0B-3ag6A: 32.6	5hg0B-3ag6A: 35.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5HG0_B_SAMB301_0 (PANTOTHENATE SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	7 / 12	HIS A 35 GLY A 37 HIS A 38 TYR A 72 VAL A 132 GLY A 148 ASP A 151	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) PAJ A 501 (-4.2A) None None PAJ A 501 (-3.1A) PAJ A 501 (-3.8A)	0.24A	5hg0B-3ag6A: 32.6	5hg0B-3ag6A: 35.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5HG0_B_SAMB301_0 (PANTOTHENATE SYNTHETASE)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	7 / 12	HIS A 35 GLY A 37 TYR A 72 VAL A 132 GLY A 148 LYS A 150 ASP A 151	PAJ A 501 (-4.3A) PAJ A 501 ( 4.1A) None None PAJ A 501 (-3.1A) None PAJ A 501 (-3.8A)	0.62A	5hg0B-3ag6A: 32.6	5hg0B-3ag6A: 35.89
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.	5KR2_C_ROCC101_1 (PROTEASE PR5-SQV)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 9	ALA A 88 ASP A 89 ILE A 53 GLY A 26 THR A 30	None None None None PAJ A 501 (-4.6A)	1.08A	5kr2C-3ag6A: undetectable	5kr2C-3ag6A: 15.49
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.	5L6E_A_SAMA601_0 (N6-ADENOSINE-METHYLT RANSFERASE 70 KDA SUBUNIT)	3ag6	PANTOTHENATE SYNTHETASE (Staphylococcus aureus)	5 / 12	ILE A 171 PRO A 29 PHE A 147 GLY A 148 GLY A 173	None PAJ A 501 (-4.6A) PAJ A 501 (-4.6A) PAJ A 501 (-3.1A) None	1.13A	5l6eA-3ag6A: undetectable	5l6eA-3ag6A: 22.33

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1C6Y_B_MK1B524_2","PROTEIN (PROTEASE)","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"ALA A  88;ASP A  89;ILE A  53;GLY A  26;THR A  30","None;None;None;None;PAJ A 501 (-4.6A)","0.86A","1c6yB-3ag6A:undetectable",null],["1C6Y_B_MK1B524_2","PROTEIN (PROTEASE)","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"GLY A  87;ALA A  88;ASP A  89;ILE A  53;THR A  30","None;None;None;None;PAJ A 501 (-4.6A)","0.83A","1c6yB-3ag6A:undetectable","1c6yB-3ag6A:15.55"],["1FFY_A_MRCA1993_1","ISOLEUCYL-TRNA SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"HIS A  35;GLY A  37;GLY A 148;ASP A 151;VAL A 177","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 (-3.1A);PAJ A 501 (-3.8A);PAJ A 501 (-3.9A)","0.94A","1ffyA-3ag6A:2.2","1c6yB-3ag6A:15.55"],["1PG2_A_ADNA552_1","METHIONYL-TRNA SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"HIS A  35;GLY A  37;HIS A  38;ASP A 151;VAL A 177","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 (-4.2A);PAJ A 501 (-3.8A);PAJ A 501 (-3.9A)","0.74A","1pg2A-3ag6A:4.9","1ffyA-3ag6A:16.87"],["1QU2_A_MRCA1993_1","ISOLEUCYL-TRNA SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",6,"HIS A  35;GLY A  37;HIS A  38;GLY A 148;ASP A 151;VAL A 177","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 (-4.2A);PAJ A 501 (-3.1A);PAJ A 501 (-3.8A);PAJ A 501 (-3.9A)","1.01A","1qu2A-3ag6A:2.2","1pg2A-3ag6A:19.68"],["1QU3_A_MRCA993_1","ISOLEUCYL-TRNA SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"HIS A  35;GLY A  37;HIS A  38;ASP A 151;VAL A 177","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 (-4.2A);PAJ A 501 (-3.8A);PAJ A 501 (-3.9A)","1.01A","1qu3A-3ag6A:undetectable","1qu2A-3ag6A:16.87"],["2X1L_B_ADNB601_1","METHIONYL-TRNA SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"HIS A  35;GLY A  37;HIS A  38;GLY A 148;ASP A 151","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 (-4.2A);PAJ A 501 (-3.1A);PAJ A 501 (-3.8A)","0.98A","2x1lB-3ag6A:4.7","1qu3A-3ag6A:16.87"],["2X1L_C_ADNC601_1","METHIONYL-TRNA SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"HIS A  35;GLY A  37;HIS A  38;GLY A 148;ASP A 151","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 (-4.2A);PAJ A 501 (-3.1A);PAJ A 501 (-3.8A)","1.00A","2x1lC-3ag6A:6.0","2x1lB-3ag6A:20.35"],["3LM8_D_VIBD223_1","THIAMINE PYROPHOSPHOKINASE;THIAMINE PYROPHOSPHOKINASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",4,"HIS A  38;TYR A 191;LEU A 274;SER A 187","PAJ A 501 (-4.2A);None;None;None","0.91A","3lm8B-3ag6A:undetectable;3lm8D-3ag6A:2.3","2x1lC-3ag6A:20.35"],["3NVC_A_SALA370_1","GENTISATE 1,2-DIOXYGENASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",4,"GLN A 154;HIS A  38;HIS A  35;ASP A 151","PAJ A 501 (-3.1A);PAJ A 501 (-4.2A);PAJ A 501 (-4.3A);PAJ A 501 (-3.8A)","1.02A","3nvcA-3ag6A:undetectable","3lm8B-3ag6A:23.02;3lm8D-3ag6A:23.02"],["3UY4_A_PAUA302_0","PANTOTHENATE SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",6,"ARG A 122;HIS A 125;VAL A 129;VAL A 133;ASP A 151;ARG A 188","ACY A 801 (-3.2A);ACY A 801 (-4.3A);PAJ A 501 ( 4.5A);None;PAJ A 501 (-3.8A);ACY A 801 (-3.2A)","1.39A","3uy4A-3ag6A:41.2","3nvcA-3ag6A:22.98"],["3UY4_A_PAUA302_0","PANTOTHENATE SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",8,"GLN A  62;ARG A 122;HIS A 125;VAL A 129;VAL A 132;ASP A 151;GLN A 154;ARG A 188","PAJ A 501 ( 2.9A);ACY A 801 (-3.2A);ACY A 801 (-4.3A);PAJ A 501 ( 4.5A);None;PAJ A 501 (-3.8A);PAJ A 501 (-3.1A);ACY A 801 (-3.2A)","0.15A","3uy4A-3ag6A:41.2","3uy4A-3ag6A:43.84"],["5HG0_A_SAMA301_0","PANTOTHENATE SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",8,"HIS A  35;GLY A  37;GLN A  62;TYR A  72;VAL A 132;GLY A 148;LYS A 150;ASP A 151","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 ( 2.9A);None;None;PAJ A 501 (-3.1A);None;PAJ A 501 (-3.8A)","0.49A","5hg0A-3ag6A:32.8","3uy4A-3ag6A:43.84"],["5HG0_B_SAMB301_0","PANTOTHENATE SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",6,"GLY A  37;HIS A  35;TYR A  72;GLY A 148;LYS A 150;ASP A 151","PAJ A 501 ( 4.1A);PAJ A 501 (-4.3A);None;PAJ A 501 (-3.1A);None;PAJ A 501 (-3.8A)","1.46A","5hg0B-3ag6A:32.6","5hg0A-3ag6A:35.89"],["5HG0_B_SAMB301_0","PANTOTHENATE SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",7,"HIS A  35;GLY A  37;HIS A  38;TYR A  72;VAL A 132;GLY A 148;ASP A 151","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);PAJ A 501 (-4.2A);None;None;PAJ A 501 (-3.1A);PAJ A 501 (-3.8A)","0.24A","5hg0B-3ag6A:32.6","5hg0B-3ag6A:35.89"],["5HG0_B_SAMB301_0","PANTOTHENATE SYNTHETASE","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",7,"HIS A  35;GLY A  37;TYR A  72;VAL A 132;GLY A 148;LYS A 150;ASP A 151","PAJ A 501 (-4.3A);PAJ A 501 ( 4.1A);None;None;PAJ A 501 (-3.1A);None;PAJ A 501 (-3.8A)","0.62A","5hg0B-3ag6A:32.6","5hg0B-3ag6A:35.89"],["5KR2_C_ROCC101_1","PROTEASE PR5-SQV","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"ALA A  88;ASP A  89;ILE A  53;GLY A  26;THR A  30","None;None;None;None;PAJ A 501 (-4.6A)","1.08A","5kr2C-3ag6A:undetectable","5hg0B-3ag6A:35.89"],["5L6E_A_SAMA601_0","N6-ADENOSINE-METHYLTRANSFERASE 70 KDA SUBUNIT","3ag6","PANTOTHENATE SYNTHETASE","Staphylococcus aureus",5,"ILE A 171;PRO A  29;PHE A 147;GLY A 148;GLY A 173","None;PAJ A 501 (-4.6A);PAJ A 501 (-4.6A);PAJ A 501 (-3.1A);None","1.13A","5l6eA-3ag6A:undetectable","5kr2C-3ag6A:15.49"]]