SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3q80'

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.	1S9Q_A_CHDA459_0 (ESTROGEN-RELATED RECEPTOR GAMMA)	3q80	2-C-METHYL-D-ERYTHRI TOL 4-PHOSPHATE CYTIDYLTRANSFERASE (Mycobacterium tuberculosis)	4 / 6	ASP A 193 LEU A 196 VAL A 197 ILE A 200	None	0.86A	1s9qA-3q80A: undetectable	1s9qA-3q80A: 22.10
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.	4E0F_A_RBFA301_1 (RIBOFLAVIN SYNTHASE SUBUNIT ALPHA)	3q80	2-C-METHYL-D-ERYTHRI TOL 4-PHOSPHATE CYTIDYLTRANSFERASE (Mycobacterium tuberculosis)	5 / 11	SER A 48 VAL A 42 LEU A 46 ALA A 74 VAL A 12	None	1.21A	4e0fA-3q80A: undetectable	4e0fA-3q80A: 25.00
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.	4IB4_A_ERMA2001_1 (CHIMERA PROTEIN OF HUMAN 5-HYDROXYTRYPTAMINE RECEPTOR 2B AND E. COLI SOLUBLE CYTOCHROME B562)	3q80	2-C-METHYL-D-ERYTHRI TOL 4-PHOSPHATE CYTIDYLTRANSFERASE (Mycobacterium tuberculosis)	5 / 12	VAL A 42 VAL A 105 LEU A 94 VAL A 93 VAL A 51	None	1.11A	4ib4A-3q80A: undetectable	4ib4A-3q80A: 21.40
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.	4NJH_A_SAMA302_0 (7-CARBOXY-7-DEAZAGUA NINE SYNTHASE)	3q80	2-C-METHYL-D-ERYTHRI TOL 4-PHOSPHATE CYTIDYLTRANSFERASE (Mycobacterium tuberculosis)	5 / 12	GLU A 198 ASP A 192 THR A 191 VAL A 133 ASP A 193	None None CDM A 500 (-4.4A) None None	1.33A	4njhA-3q80A: 0.2	4njhA-3q80A: 25.09
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.	4UBE_A_2FAA401_2 (ADENOSINE KINASE)	3q80	2-C-METHYL-D-ERYTHRI TOL 4-PHOSPHATE CYTIDYLTRANSFERASE (Mycobacterium tuberculosis)	4 / 4	ALA A 108 VAL A 56 GLY A 79 THR A 86	CDM A 500 (-3.8A) None None CDM A 500 (-3.2A)	0.88A	4ubeA-3q80A: undetectable	4ubeA-3q80A: 25.28
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.	6HUP_E_DZPE502_0 (GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-3)	3q80	2-C-METHYL-D-ERYTHRI TOL 4-PHOSPHATE CYTIDYLTRANSFERASE (Mycobacterium tuberculosis)	5 / 10	LEU A 175 LEU A 196 THR A 84 ASN A 88 LEU A 89	None	1.40A	6hupD-3q80A: undetectable 6hupE-3q80A: undetectable	6hupD-3q80A: 14.35 6hupE-3q80A: 13.85

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1S9Q_A_CHDA459_0","ESTROGEN-RELATED RECEPTOR GAMMA","3q80","2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLTRANSFERASE","Mycobacterium tuberculosis",4,"ASP A 193;LEU A 196;VAL A 197;ILE A 200","None","0.86A","1s9qA-3q80A:undetectable","1s9qA-3q80A:22.10"],["4E0F_A_RBFA301_1","RIBOFLAVIN SYNTHASE SUBUNIT ALPHA","3q80","2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLTRANSFERASE","Mycobacterium tuberculosis",5,"SER A  48;VAL A  42;LEU A  46;ALA A  74;VAL A  12","None","1.21A","4e0fA-3q80A:undetectable","4e0fA-3q80A:25.00"],["4IB4_A_ERMA2001_1","CHIMERA PROTEIN OF HUMAN 5-HYDROXYTRYPTAMINE RECEPTOR 2B AND E. COLI SOLUBLE CYTOCHROME B562","3q80","2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLTRANSFERASE","Mycobacterium tuberculosis",5,"VAL A  42;VAL A 105;LEU A  94;VAL A  93;VAL A  51","None","1.11A","4ib4A-3q80A:undetectable","4ib4A-3q80A:21.40"],["4NJH_A_SAMA302_0","7-CARBOXY-7-DEAZAGUANINE SYNTHASE","3q80","2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLTRANSFERASE","Mycobacterium tuberculosis",5,"GLU A 198;ASP A 192;THR A 191;VAL A 133;ASP A 193","None;None;CDM A 500 (-4.4A);None;None","1.33A","4njhA-3q80A:0.2","4njhA-3q80A:25.09"],["4UBE_A_2FAA401_2","ADENOSINE KINASE","3q80","2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLTRANSFERASE","Mycobacterium tuberculosis",4,"ALA A 108;VAL A  56;GLY A  79;THR A  86","CDM A 500 (-3.8A);None;None;CDM A 500 (-3.2A)","0.88A","4ubeA-3q80A:undetectable","4ubeA-3q80A:25.28"],["6HUP_E_DZPE502_0","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1;GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-3","3q80","2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLTRANSFERASE","Mycobacterium tuberculosis",5,"LEU A 175;LEU A 196;THR A  84;ASN A  88;LEU A  89","None","1.40A","6hupD-3q80A:undetectable;6hupE-3q80A:undetectable","6hupD-3q80A:14.35;6hupE-3q80A:13.85"]]