SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DDQ'

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.	1Q13_A_TESA501_1 (PROSTAGLANDIN-E2 9-REDUCTASE)	4xu4	UNCHARACTERIZED PROTEIN (Mycolicibacteriu m vanbaalenii)	4 / 6	TYR A 150 HIS A 26 PRO A 103 VAL A 108	None DDQ A 303 (-4.3A) None None	1.00A	1q13A-4xu4A: undetectable	1q13A-4xu4A: 22.36
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.	1W76_B_GNTB1538_1 (ACETYLCHOLINESTERASE)	1w52	PANCREATIC LIPASE RELATED PROTEIN 2 (Equus caballus)	5 / 10	TRP X 87 GLY X 156 GLY X 78 SER X 154 HIS X 265	None None None DDQ X 502 ( 3.7A) DDQ X 502 (-4.2A)	1.21A	1w76B-1w52X: 9.6	1w76B-1w52X: 22.64
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.	2A1O_B_CAMB2422_0 (CYTOCHROME P450-CAM)	5uxi	ALDEHYDE DECARBONYLASE (Nostoc punctiforme)	5 / 9	TYR A 18 LEU A 75 VAL A 77 GLY A 72 ILE A 25	None None None None DDQ A 302 (-4.3A)	1.12A	2a1oB-5uxiA: undetectable	2a1oB-5uxiA: 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.	3HS4_A_AZMA702_1 (CARBONIC ANHYDRASE 2)	1w52	PANCREATIC LIPASE RELATED PROTEIN 2 (Equus caballus)	4 / 7	VAL X 120 TYR X 116 GLU X 181 PRO X 182	None DDQ X 502 (-4.5A) None None	1.27A	3hs4A-1w52X: undetectable	3hs4A-1w52X: 19.95
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.	3I5U_B_SAMB401_1 (O-METHYLTRANSFERASE)	1w52	PANCREATIC LIPASE RELATED PROTEIN 2 (Equus caballus)	3 / 3	ASP X 81 PHE X 269 SER X 89	DDQ X 502 (-2.9A) None None	0.86A	3i5uB-1w52X: undetectable	3i5uB-1w52X: 20.90
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.	4IV0_B_SAMB302_0 (PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE, PUTATIVE)	1w52	PANCREATIC LIPASE RELATED PROTEIN 2 (Equus caballus)	5 / 12	TYR X 116 GLY X 78 ILE X 123 ILE X 76 SER X 154	DDQ X 502 (-4.5A) None None None DDQ X 502 ( 3.7A)	1.13A	4iv0B-1w52X: 2.2	4iv0B-1w52X: 21.46
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.	4WG0_C_CHDC102_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	5uxi	ALDEHYDE DECARBONYLASE (Nostoc punctiforme)	5 / 7	GLU A 195 LYS A 196 LEU A 199 ASN A 183 LEU A 182	None None DDQ A 302 ( 4.5A) None None	1.24A	4wg0B-5uxiA: undetectable 4wg0C-5uxiA: undetectable	4wg0B-5uxiA: undetectable 4wg0C-5uxiA: 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.	4XK8_A_PQNA845_1 (PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1)	4xu4	UNCHARACTERIZED PROTEIN (Mycolicibacteriu m vanbaalenii)	4 / 8	PHE A 171 ALA A 61 LEU A 60 GLY A 172	DDQ A 303 (-3.5A) None None None	0.94A	4xk8a-4xu4A: undetectable	4xk8a-4xu4A: 13.61
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.	5ENT_C_MIYC901_1 (MULTIDRUG EFFLUX PUMP SUBUNIT ACRB,MULTIDRUG EFFLUX PUMP SUBUNIT ACRB)	5uxi	ALDEHYDE DECARBONYLASE (Nostoc punctiforme)	5 / 9	GLY A 32 GLU A 38 ASN A 39 ILE A 115 ALA A 119	DDQ A 300 ( 4.0A) None None None DDQ A 301 ( 3.5A)	1.07A	5entC-5uxiA: undetectable	5entC-5uxiA: 9.98

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1Q13_A_TESA501_1","PROSTAGLANDIN-E2 9-REDUCTASE","4xu4","UNCHARACTERIZED PROTEIN","Mycolicibacterium vanbaalenii",4,"TYR A 150;HIS A  26;PRO A 103;VAL A 108","None;DDQ A 303 (-4.3A);None;None","1.00A","1q13A-4xu4A:undetectable",null],["1W76_B_GNTB1538_1","ACETYLCHOLINESTERASE","1w52","PANCREATIC LIPASE RELATED PROTEIN 2","Equus caballus",5,"TRP X  87;GLY X 156;GLY X  78;SER X 154;HIS X 265","None;None;None;DDQ X 502 ( 3.7A);DDQ X 502 (-4.2A)","1.21A","1w76B-1w52X:9.6","1q13A-4xu4A:22.36"],["2A1O_B_CAMB2422_0","CYTOCHROME P450-CAM","5uxi","ALDEHYDE DECARBONYLASE","Nostoc punctiforme",5,"TYR A  18;LEU A  75;VAL A  77;GLY A  72;ILE A  25","None;None;None;None;DDQ A 302 (-4.3A)","1.12A","2a1oB-5uxiA:undetectable","1w76B-1w52X:22.64"],["3HS4_A_AZMA702_1","CARBONIC ANHYDRASE 2","1w52","PANCREATIC LIPASE RELATED PROTEIN 2","Equus caballus",4,"VAL X 120;TYR X 116;GLU X 181;PRO X 182","None;DDQ X 502 (-4.5A);None;None","1.27A","3hs4A-1w52X:undetectable","2a1oB-5uxiA:undetectable"],["3I5U_B_SAMB401_1","O-METHYLTRANSFERASE","1w52","PANCREATIC LIPASE RELATED PROTEIN 2","Equus caballus",3,"ASP X  81;PHE X 269;SER X  89","DDQ X 502 (-2.9A);None;None","0.86A","3i5uB-1w52X:undetectable","3hs4A-1w52X:19.95"],["4IV0_B_SAMB302_0","PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE, PUTATIVE","1w52","PANCREATIC LIPASE RELATED PROTEIN 2","Equus caballus",5,"TYR X 116;GLY X  78;ILE X 123;ILE X  76;SER X 154","DDQ X 502 (-4.5A);None;None;None;DDQ X 502 ( 3.7A)","1.13A","4iv0B-1w52X:2.2","3i5uB-1w52X:20.90"],["4WG0_C_CHDC102_0","NUCLEAR RECEPTOR COACTIVATOR 2","5uxi","ALDEHYDE DECARBONYLASE","Nostoc punctiforme",5,"GLU A 195;LYS A 196;LEU A 199;ASN A 183;LEU A 182","None;None;DDQ A 302 ( 4.5A);None;None","1.24A","4wg0B-5uxiA:undetectable;4wg0C-5uxiA:undetectable","4iv0B-1w52X:21.46"],["4XK8_A_PQNA845_1","PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1","4xu4","UNCHARACTERIZED PROTEIN","Mycolicibacterium vanbaalenii",4,"PHE A 171;ALA A  61;LEU A  60;GLY A 172","DDQ A 303 (-3.5A);None;None;None","0.94A","4xk8a-4xu4A:undetectable","4wg0B-5uxiA:undetectable;4wg0C-5uxiA:undetectable"],["5ENT_C_MIYC901_1","MULTIDRUG EFFLUX PUMP SUBUNIT ACRB,MULTIDRUG EFFLUX PUMP SUBUNIT ACRB","5uxi","ALDEHYDE DECARBONYLASE","Nostoc punctiforme",5,"GLY A  32;GLU A  38;ASN A  39;ILE A 115;ALA A 119","DDQ A 300 ( 4.0A);None;None;None;DDQ A 301 ( 3.5A)","1.07A","5entC-5uxiA:undetectable","4xk8a-4xu4A:13.61"]]