SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PRE'

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.	3HGX_A_SALA102_1 (SALICYLATE BIOSYNTHESIS PROTEIN PCHB)	5j6f	3-DEOXY-D-ARABINO-HE PTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3 (Geobacillus sp. GHH01)	4 / 7	ARG A 27 VAL A 31 MET A 54 GLN A 86	PRE A 404 (-3.4A) PRE A 404 ( 4.9A) PRE A 404 (-3.6A) PRE A 404 (-3.3A)	0.72A	3hgxA-5j6fA: 10.5	3hgxA-5j6fA: 17.46
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.	3HGX_B_SALB104_1 (SALICYLATE BIOSYNTHESIS PROTEIN PCHB)	5j6f	3-DEOXY-D-ARABINO-HE PTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3 (Geobacillus sp. GHH01)	5 / 9	ARG A 27 VAL A 31 ARG A 50 MET A 54 GLN A 86	PRE A 404 (-3.4A) PRE A 404 ( 4.9A) PRE A 404 (-4.6A) PRE A 404 (-3.6A) PRE A 404 (-3.3A)	0.75A	3hgxB-5j6fA: 10.5	3hgxB-5j6fA: 17.46
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.	3REM_A_SALA301_1 (SALICYLATE BIOSYNTHESIS PROTEIN PCHB)	5j6f	3-DEOXY-D-ARABINO-HE PTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3 (Geobacillus sp. GHH01)	5 / 8	ARG A 27 VAL A 31 ARG A 50 MET A 54 GLN A 86	PRE A 404 (-3.4A) PRE A 404 ( 4.9A) PRE A 404 (-4.6A) PRE A 404 (-3.6A) PRE A 404 (-3.3A)	0.65A	3remA-5j6fA: 10.6	3remA-5j6fA: 17.78
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.	3REM_B_SALB301_1 (SALICYLATE BIOSYNTHESIS PROTEIN PCHB)	5j6f	3-DEOXY-D-ARABINO-HE PTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3 (Geobacillus sp. GHH01)	5 / 8	ARG A 27 VAL A 31 ARG A 50 MET A 54 GLN A 86	PRE A 404 (-3.4A) PRE A 404 ( 4.9A) PRE A 404 (-4.6A) PRE A 404 (-3.6A) PRE A 404 (-3.3A)	0.69A	3remB-5j6fA: 10.5	3remB-5j6fA: 17.78
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.	3RET_A_SALA201_1 (SALICYLATE BIOSYNTHESIS PROTEIN PCHB)	5j6f	3-DEOXY-D-ARABINO-HE PTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3 (Geobacillus sp. GHH01)	5 / 10	ARG A 27 VAL A 31 ARG A 50 MET A 54 GLN A 86	PRE A 404 (-3.4A) PRE A 404 ( 4.9A) PRE A 404 (-4.6A) PRE A 404 (-3.6A) PRE A 404 (-3.3A)	0.72A	3retA-5j6fA: 10.7 3retB-5j6fA: 10.2	3retA-5j6fA: 17.46 3retB-5j6fA: 17.46
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.	3RET_B_SALB201_1 (SALICYLATE BIOSYNTHESIS PROTEIN PCHB)	5j6f	3-DEOXY-D-ARABINO-HE PTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3 (Geobacillus sp. GHH01)	5 / 9	ARG A 27 VAL A 31 ARG A 50 MET A 54 GLN A 86	PRE A 404 (-3.4A) PRE A 404 ( 4.9A) PRE A 404 (-4.6A) PRE A 404 (-3.6A) PRE A 404 (-3.3A)	0.69A	3retB-5j6fA: 10.2	3retB-5j6fA: 17.46

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3HGX_A_SALA102_1","SALICYLATE BIOSYNTHESIS PROTEIN PCHB","5j6f","3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3","Geobacillus sp. GHH01",4,"ARG A  27;VAL A  31;MET A  54;GLN A  86","PRE A 404 (-3.4A);PRE A 404 ( 4.9A);PRE A 404 (-3.6A);PRE A 404 (-3.3A)","0.72A","3hgxA-5j6fA:10.5",null],["3HGX_B_SALB104_1","SALICYLATE BIOSYNTHESIS PROTEIN PCHB","5j6f","3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3","Geobacillus sp. GHH01",5,"ARG A  27;VAL A  31;ARG A  50;MET A  54;GLN A  86","PRE A 404 (-3.4A);PRE A 404 ( 4.9A);PRE A 404 (-4.6A);PRE A 404 (-3.6A);PRE A 404 (-3.3A)","0.75A","3hgxB-5j6fA:10.5","3hgxA-5j6fA:17.46"],["3REM_A_SALA301_1","SALICYLATE BIOSYNTHESIS PROTEIN PCHB","5j6f","3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3","Geobacillus sp. GHH01",5,"ARG A  27;VAL A  31;ARG A  50;MET A  54;GLN A  86","PRE A 404 (-3.4A);PRE A 404 ( 4.9A);PRE A 404 (-4.6A);PRE A 404 (-3.6A);PRE A 404 (-3.3A)","0.65A","3remA-5j6fA:10.6","3hgxB-5j6fA:17.46"],["3REM_B_SALB301_1","SALICYLATE BIOSYNTHESIS PROTEIN PCHB","5j6f","3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3","Geobacillus sp. GHH01",5,"ARG A  27;VAL A  31;ARG A  50;MET A  54;GLN A  86","PRE A 404 (-3.4A);PRE A 404 ( 4.9A);PRE A 404 (-4.6A);PRE A 404 (-3.6A);PRE A 404 (-3.3A)","0.69A","3remB-5j6fA:10.5","3remA-5j6fA:17.78"],["3RET_A_SALA201_1","SALICYLATE BIOSYNTHESIS PROTEIN PCHB;SALICYLATE BIOSYNTHESIS PROTEIN PCHB","5j6f","3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3","Geobacillus sp. GHH01",5,"ARG A  27;VAL A  31;ARG A  50;MET A  54;GLN A  86","PRE A 404 (-3.4A);PRE A 404 ( 4.9A);PRE A 404 (-4.6A);PRE A 404 (-3.6A);PRE A 404 (-3.3A)","0.72A","3retA-5j6fA:10.7;3retB-5j6fA:10.2","3remB-5j6fA:17.78"],["3RET_B_SALB201_1","SALICYLATE BIOSYNTHESIS PROTEIN PCHB","5j6f","3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE, CHORISMATE MUTASE-ISOZYME 3","Geobacillus sp. GHH01",5,"ARG A  27;VAL A  31;ARG A  50;MET A  54;GLN A  86","PRE A 404 (-3.4A);PRE A 404 ( 4.9A);PRE A 404 (-4.6A);PRE A 404 (-3.6A);PRE A 404 (-3.3A)","0.69A","3retB-5j6fA:10.2","3retA-5j6fA:17.46;3retB-5j6fA:17.46"]]