SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DFD'

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.	1D4F_B_ADNB602_2 (S-ADENOSYLHOMOCYSTEI NE HYDROLASE)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	4 / 5	THR A 145 GLU A 140 THR A 139 HIS A 83	DFD A 760 (-3.6A) None None None	1.32A	1d4fB-2qnyA: undetectable	1d4fB-2qnyA: 24.24
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.	1WU8_C_ADNC502_1 (HYPOTHETICAL PROTEIN PH0463)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	4 / 7	PHE A 246 ASN A 274 ASN A 81 VAL A 205	DFD A 760 (-3.9A) DFD A 760 (-3.2A) DFD A 760 (-4.5A) DFD A 760 ( 4.1A)	1.30A	1wu8A-2qnyA: undetectable 1wu8C-2qnyA: undetectable	1wu8A-2qnyA: 25.00 1wu8C-2qnyA: 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.	3MG0_N_BO2N1404_1 (PROTEASOME COMPONENT PRE3)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	5 / 11	THR A 275 ARG A 12 GLY A 160 ALA A 162 SER A 276	None None None None DFD A 760 (-3.2A)	1.21A	3mg0N-2qnyA: undetectable	3mg0N-2qnyA: 22.54
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.	3OU6_A_SAMA300_0 (SAM-DEPENDENT METHYLTRANSFERASE)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	5 / 12	LEU A 308 TYR A 310 ALA A 113 GLY A 303 GLY A 305	None None None None DFD A 760 (-3.6A)	1.10A	3ou6A-2qnyA: undetectable	3ou6A-2qnyA: 23.60
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.	3OU6_B_SAMB300_0 (SAM-DEPENDENT METHYLTRANSFERASE)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	5 / 12	LEU A 308 TYR A 310 ALA A 113 GLY A 303 GLY A 305	None None None None DFD A 760 (-3.6A)	1.12A	3ou6B-2qnyA: undetectable	3ou6B-2qnyA: 23.60
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.	3OU7_A_SAMA300_0 (SAM-DEPENDENT METHYLTRANSFERASE)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	5 / 12	LEU A 308 TYR A 310 ALA A 113 GLY A 303 GLY A 305	None None None None DFD A 760 (-3.6A)	1.09A	3ou7A-2qnyA: undetectable	3ou7A-2qnyA: 23.60
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.	3OU7_D_SAMD300_0 (SAM-DEPENDENT METHYLTRANSFERASE)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	5 / 12	LEU A 308 TYR A 310 ALA A 113 GLY A 303 GLY A 305	None None None None DFD A 760 (-3.6A)	1.09A	3ou7D-2qnyA: undetectable	3ou7D-2qnyA: 23.60
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.	4U14_A_0HKA2000_1 (MUSCARINIC ACETYLCHOLINE RECEPTOR M3,ENDOLYSIN,MUSCARI NIC ACETYLCHOLINE RECEPTOR M3)	2qny	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 3 (Mycobacterium tuberculosis)	5 / 12	ILE A 280 SER A 279 ALA A 158 TYR A 304 CYH A 112	None None None None DFD A 760 (-1.6A)	1.09A	4u14A-2qnyA: undetectable	4u14A-2qnyA: 22.51

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1D4F_B_ADNB602_2","S-ADENOSYLHOMOCYSTEINE HYDROLASE","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",4,"THR A 145;GLU A 140;THR A 139;HIS A  83","DFD A 760 (-3.6A);None;None;None","1.32A","1d4fB-2qnyA:undetectable",null],["1WU8_C_ADNC502_1","HYPOTHETICAL PROTEIN PH0463;HYPOTHETICAL PROTEIN PH0463","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",4,"PHE A 246;ASN A 274;ASN A  81;VAL A 205","DFD A 760 (-3.9A);DFD A 760 (-3.2A);DFD A 760 (-4.5A);DFD A 760 ( 4.1A)","1.30A","1wu8A-2qnyA:undetectable;1wu8C-2qnyA:undetectable","1d4fB-2qnyA:24.24"],["3MG0_N_BO2N1404_1","PROTEASOME COMPONENT PRE3","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",5,"THR A 275;ARG A  12;GLY A 160;ALA A 162;SER A 276","None;None;None;None;DFD A 760 (-3.2A)","1.21A","3mg0N-2qnyA:undetectable","1wu8A-2qnyA:25.00;1wu8C-2qnyA:25.00"],["3OU6_A_SAMA300_0","SAM-DEPENDENT METHYLTRANSFERASE","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",5,"LEU A 308;TYR A 310;ALA A 113;GLY A 303;GLY A 305","None;None;None;None;DFD A 760 (-3.6A)","1.10A","3ou6A-2qnyA:undetectable","3mg0N-2qnyA:22.54"],["3OU6_B_SAMB300_0","SAM-DEPENDENT METHYLTRANSFERASE","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",5,"LEU A 308;TYR A 310;ALA A 113;GLY A 303;GLY A 305","None;None;None;None;DFD A 760 (-3.6A)","1.12A","3ou6B-2qnyA:undetectable","3ou6A-2qnyA:23.60"],["3OU7_A_SAMA300_0","SAM-DEPENDENT METHYLTRANSFERASE","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",5,"LEU A 308;TYR A 310;ALA A 113;GLY A 303;GLY A 305","None;None;None;None;DFD A 760 (-3.6A)","1.09A","3ou7A-2qnyA:undetectable","3ou6B-2qnyA:23.60"],["3OU7_D_SAMD300_0","SAM-DEPENDENT METHYLTRANSFERASE","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",5,"LEU A 308;TYR A 310;ALA A 113;GLY A 303;GLY A 305","None;None;None;None;DFD A 760 (-3.6A)","1.09A","3ou7D-2qnyA:undetectable","3ou7A-2qnyA:23.60"],["4U14_A_0HKA2000_1","MUSCARINIC ACETYLCHOLINE RECEPTOR M3,ENDOLYSIN,MUSCARINIC ACETYLCHOLINE RECEPTOR M3","2qny","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3","Mycobacterium tuberculosis",5,"ILE A 280;SER A 279;ALA A 158;TYR A 304;CYH A 112","None;None;None;None;DFD A 760 (-1.6A)","1.09A","4u14A-2qnyA:undetectable","3ou7D-2qnyA:23.60"]]