SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CJJ'

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)

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	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.	1FMO_E_ADNE351_1 (CAMP-DEPENDENT PROTEIN KINASE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	7 / 12	VAL A 27 ALA A 40 VAL A 98 ASN A 146 LEU A 148 THR A 158 ASP A 159	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.5A) CJJ A 301 (-3.5A) CJJ A 301 (-4.5A) CJJ A 301 (-3.1A) CJJ A 301 (-4.3A)	0.71A	1fmoE-6b2qA: 26.0	1fmoE-6b2qA: 13.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2FUM_A_MIXA539_1 (PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNB)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	7 / 12	VAL A 27 ALA A 40 VAL A 98 ASP A 141 LYS A 143 ASN A 146 ASP A 159	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.5A) None None CJJ A 301 (-3.5A) CJJ A 301 (-4.3A)	0.78A	2fumA-6b2qA: 35.4	2fumA-6b2qA: 58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2FUM_B_MIXB1539_1 (PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNB)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	7 / 12	VAL A 27 ALA A 40 MET A 95 VAL A 98 LYS A 143 ASN A 146 ASP A 159	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.6A) CJJ A 301 (-3.5A) None CJJ A 301 (-3.5A) CJJ A 301 (-4.3A)	0.70A	2fumB-6b2qA: 35.6	2fumB-6b2qA: 58.75
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.	3BBT_B_FMMB91_1 (RECEPTOR TYROSINE-PROTEIN KINASE ERBB-4)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	7 / 12	VAL A 27 ALA A 40 LEU A 97 GLY A 100 LEU A 148 THR A 158 PHE A 160	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) None CJJ A 301 (-4.2A) CJJ A 301 (-4.5A) CJJ A 301 (-3.1A) None	1.17A	3bbtB-6b2qA: 23.5	3bbtB-6b2qA: 13.41
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.	3BBT_D_FMMD91_1 (RECEPTOR TYROSINE-PROTEIN KINASE ERBB-4)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	7 / 12	VAL A 27 ALA A 40 LYS A 42 GLY A 100 LEU A 148 THR A 158 PHE A 160	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.7A) CJJ A 301 (-4.2A) CJJ A 301 (-4.5A) CJJ A 301 (-3.1A) None	1.30A	3bbtD-6b2qA: 23.8	3bbtD-6b2qA: 13.41
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.	3LFA_A_1N1A361_1 (MITOGEN-ACTIVATED PROTEIN KINASE 14)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	4 / 8	ALA A 40 LYS A 42 GLU A 61 LEU A 97	CJJ A 301 (-3.5A) CJJ A 301 (-3.7A) None None	0.43A	3lfaA-6b2qA: 22.4	3lfaA-6b2qA: 12.50
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.	4RZ7_A_1E8A901_1 (CGMP-DEPENDENT PROTEIN KINASE, PUTATIVE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	6 / 10	ALA A 40 LYS A 42 THR A 65 LEU A 97 VAL A 98 LEU A 148	CJJ A 301 (-3.5A) CJJ A 301 (-3.7A) None None CJJ A 301 (-3.5A) CJJ A 301 (-4.5A)	0.52A	4rz7A-6b2qA: 9.9	4rz7A-6b2qA: 6.21
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.	4RZ7_A_1E8A901_1 (CGMP-DEPENDENT PROTEIN KINASE, PUTATIVE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	5 / 10	ILE A 19 ALA A 40 LEU A 97 VAL A 98 LEU A 148	CJJ A 301 (-4.1A) CJJ A 301 (-3.5A) None CJJ A 301 (-3.5A) CJJ A 301 (-4.5A)	0.67A	4rz7A-6b2qA: 9.9	4rz7A-6b2qA: 6.21
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.	4UUU_A_SAMA1546_0 (CYSTATHIONINE BETA-SYNTHASE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	5 / 11	LEU A 137 PHE A 160 ASP A 159 ALA A 163 ILE A 147	None None CJJ A 301 (-4.3A) None None	1.39A	4uuuA-6b2qA: undetectable 4uuuB-6b2qA: undetectable	4uuuA-6b2qA: undetectable 4uuuB-6b2qA: undetectable
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.	5N3H_A_NCAA401_0 (CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	6 / 10	VAL A 27 ALA A 40 MET A 95 VAL A 98 LEU A 148 THR A 158	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.6A) CJJ A 301 (-3.5A) CJJ A 301 (-4.5A) CJJ A 301 (-3.1A)	0.78A	5n3hA-6b2qA: 25.6	5n3hA-6b2qA: undetectable
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.	5Y7Z_A_IREA401_0 (CYCLIN-G-ASSOCIATED KINASE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	7 / 12	VAL A 27 ALA A 40 LYS A 42 GLU A 61 LEU A 97 GLY A 100 LEU A 148	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.7A) None None CJJ A 301 (-4.2A) CJJ A 301 (-4.5A)	1.01A	5y7zA-6b2qA: 24.7	5y7zA-6b2qA: 12.94
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.	5Y7Z_A_IREA401_0 (CYCLIN-G-ASSOCIATED KINASE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	7 / 12	VAL A 27 ALA A 40 LYS A 42 GLU A 61 LEU A 97 GLY A 100 LEU A 148	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.7A) None None CJJ A 301 (-4.2A) CJJ A 301 (-4.5A)	1.01A	5y7zA-6b2qA: 24.7	5y7zA-6b2qA: 28.57
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.	5Y7Z_B_IREB401_0 (CYCLIN-G-ASSOCIATED KINASE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	8 / 12	ALA A 40 LYS A 42 GLU A 61 LEU A 93 LEU A 97 GLY A 100 LEU A 148 ASP A 159	CJJ A 301 (-3.5A) CJJ A 301 (-3.7A) None None None CJJ A 301 (-4.2A) CJJ A 301 (-4.5A) CJJ A 301 (-4.3A)	1.02A	5y7zB-6b2qA: 24.8	5y7zB-6b2qA: 28.57
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.	5Y80_A_IREA401_0 (CYCLIN-G-ASSOCIATED KINASE)	6b2q	SERINE/THREONINE-PRO TEIN KINASE PKNA (Mycobacterium tuberculosis)	8 / 12	VAL A 27 ALA A 40 LYS A 42 GLU A 61 LEU A 97 GLY A 100 LEU A 148 ASP A 159	CJJ A 301 (-4.6A) CJJ A 301 (-3.5A) CJJ A 301 (-3.7A) None None CJJ A 301 (-4.2A) CJJ A 301 (-4.5A) CJJ A 301 (-4.3A)	0.99A	5y80A-6b2qA: 24.4	5y80A-6b2qA: 28.57

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1FMO_E_ADNE351_1","CAMP-DEPENDENT PROTEIN KINASE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",7,"VAL A  27;ALA A  40;VAL A  98;ASN A 146;LEU A 148;THR A 158;ASP A 159","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.5A);CJJ A 301 (-3.5A);CJJ A 301 (-4.5A);CJJ A 301 (-3.1A);CJJ A 301 (-4.3A)","0.71A","1fmoE-6b2qA:26.0",null],["2FUM_A_MIXA539_1","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNB","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",7,"VAL A  27;ALA A  40;VAL A  98;ASP A 141;LYS A 143;ASN A 146;ASP A 159","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.5A);None;None;CJJ A 301 (-3.5A);CJJ A 301 (-4.3A)","0.78A","2fumA-6b2qA:35.4","1fmoE-6b2qA:13.39"],["2FUM_B_MIXB1539_1","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNB","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",7,"VAL A  27;ALA A  40;MET A  95;VAL A  98;LYS A 143;ASN A 146;ASP A 159","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.6A);CJJ A 301 (-3.5A);None;CJJ A 301 (-3.5A);CJJ A 301 (-4.3A)","0.70A","2fumB-6b2qA:35.6","2fumA-6b2qA:58.75"],["3BBT_B_FMMB91_1","RECEPTOR TYROSINE-PROTEIN KINASE ERBB-4","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",7,"VAL A  27;ALA A  40;LEU A  97;GLY A 100;LEU A 148;THR A 158;PHE A 160","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);None;CJJ A 301 (-4.2A);CJJ A 301 (-4.5A);CJJ A 301 (-3.1A);None","1.17A","3bbtB-6b2qA:23.5","2fumB-6b2qA:58.75"],["3BBT_D_FMMD91_1","RECEPTOR TYROSINE-PROTEIN KINASE ERBB-4","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",7,"VAL A  27;ALA A  40;LYS A  42;GLY A 100;LEU A 148;THR A 158;PHE A 160","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.7A);CJJ A 301 (-4.2A);CJJ A 301 (-4.5A);CJJ A 301 (-3.1A);None","1.30A","3bbtD-6b2qA:23.8","3bbtB-6b2qA:13.41"],["3LFA_A_1N1A361_1","MITOGEN-ACTIVATED PROTEIN KINASE 14","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",4,"ALA A  40;LYS A  42;GLU A  61;LEU A  97","CJJ A 301 (-3.5A);CJJ A 301 (-3.7A);None;None","0.43A","3lfaA-6b2qA:22.4","3bbtD-6b2qA:13.41"],["4RZ7_A_1E8A901_1","CGMP-DEPENDENT PROTEIN KINASE, PUTATIVE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",6,"ALA A  40;LYS A  42;THR A  65;LEU A  97;VAL A  98;LEU A 148","CJJ A 301 (-3.5A);CJJ A 301 (-3.7A);None;None;CJJ A 301 (-3.5A);CJJ A 301 (-4.5A)","0.52A","4rz7A-6b2qA:9.9","3lfaA-6b2qA:12.50"],["4RZ7_A_1E8A901_1","CGMP-DEPENDENT PROTEIN KINASE, PUTATIVE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",5,"ILE A  19;ALA A  40;LEU A  97;VAL A  98;LEU A 148","CJJ A 301 (-4.1A);CJJ A 301 (-3.5A);None;CJJ A 301 (-3.5A);CJJ A 301 (-4.5A)","0.67A","4rz7A-6b2qA:9.9","4rz7A-6b2qA:6.21"],["4UUU_A_SAMA1546_0","CYSTATHIONINE BETA-SYNTHASE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",5,"LEU A 137;PHE A 160;ASP A 159;ALA A 163;ILE A 147","None;None;CJJ A 301 (-4.3A);None;None","1.39A","4uuuA-6b2qA:undetectable;4uuuB-6b2qA:undetectable","4rz7A-6b2qA:6.21"],["5N3H_A_NCAA401_0","CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",6,"VAL A  27;ALA A  40;MET A  95;VAL A  98;LEU A 148;THR A 158","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.6A);CJJ A 301 (-3.5A);CJJ A 301 (-4.5A);CJJ A 301 (-3.1A)","0.78A","5n3hA-6b2qA:25.6","4uuuA-6b2qA:undetectable;4uuuB-6b2qA:undetectable"],["5Y7Z_A_IREA401_0","CYCLIN-G-ASSOCIATED KINASE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",7,"VAL A  27;ALA A  40;LYS A  42;GLU A  61;LEU A  97;GLY A 100;LEU A 148","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.7A);None;None;CJJ A 301 (-4.2A);CJJ A 301 (-4.5A)","1.01A","5y7zA-6b2qA:24.7","5n3hA-6b2qA:undetectable"],["5Y7Z_A_IREA401_0","CYCLIN-G-ASSOCIATED KINASE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",7,"VAL A  27;ALA A  40;LYS A  42;GLU A  61;LEU A  97;GLY A 100;LEU A 148","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.7A);None;None;CJJ A 301 (-4.2A);CJJ A 301 (-4.5A)","1.01A","5y7zA-6b2qA:24.7","5y7zA-6b2qA:12.94"],["5Y7Z_B_IREB401_0","CYCLIN-G-ASSOCIATED KINASE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",8,"ALA A  40;LYS A  42;GLU A  61;LEU A  93;LEU A  97;GLY A 100;LEU A 148;ASP A 159","CJJ A 301 (-3.5A);CJJ A 301 (-3.7A);None;None;None;CJJ A 301 (-4.2A);CJJ A 301 (-4.5A);CJJ A 301 (-4.3A)","1.02A","5y7zB-6b2qA:24.8","5y7zA-6b2qA:28.57"],["5Y80_A_IREA401_0","CYCLIN-G-ASSOCIATED KINASE","6b2q","SERINE\/THREONINE-PROTEIN KINASE PKNA","Mycobacterium tuberculosis",8,"VAL A  27;ALA A  40;LYS A  42;GLU A  61;LEU A  97;GLY A 100;LEU A 148;ASP A 159","CJJ A 301 (-4.6A);CJJ A 301 (-3.5A);CJJ A 301 (-3.7A);None;None;CJJ A 301 (-4.2A);CJJ A 301 (-4.5A);CJJ A 301 (-4.3A)","0.99A","5y80A-6b2qA:24.4","5y7zB-6b2qA:28.57"]]