SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '9MR'

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.	1TKQ_B_DVAB8_0 (GRAMICIDIN A)	3rx8	CELLULASE (Alicyclobacillus acidocaldarius)	4 / 5	VAL A 479 GLY A 480 VAL A 516 TRP A 401	None None None 9MR A 601 (-3.9A)	1.33A	1tkqB-3rx8A: undetectable	1tkqB-3rx8A: 4.70
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.	1ZLQ_A_ACTA1507_0 (NICKEL-BINDING PERIPLASMIC PROTEIN)	3rx8	CELLULASE (Alicyclobacillus acidocaldarius)	3 / 3	GLN A 102 HIS A 462 ARG A 463	None None 9MR A 603 (-2.7A)	0.75A	1zlqA-3rx8A: undetectable	1zlqA-3rx8A: 21.17
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.	5VCV_A_1N1A404_2 (MEMBRANE-ASSOCIATED TYROSINE- AND THREONINE-SPECIFIC CDC2-INHIBITORY KINASE)	3rx8	CELLULASE (Alicyclobacillus acidocaldarius)	4 / 5	VAL A 518 LEU A 103 CYH A 104 ASP A 146	None None ZN A 539 (-2.3A) 9MR A 601 ( 2.9A)	1.23A	5vcvA-3rx8A: undetectable	5vcvA-3rx8A: 22.24
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.	5ZMQ_I_PACI1_0 (SERINE PROTEASE NS3 SERINE PROTEASE SUBUNIT NS2B PEPTIDE PAC-DLY-DLY-DAR)	3rx8	CELLULASE (Alicyclobacillus acidocaldarius)	3 / 3	VAL A 152 TYR A 300 GLU A 308	None 9MR A 601 (-4.2A) CA A 538 (-2.1A)	0.87A	5zmqD-3rx8A: undetectable 5zmqE-3rx8A: undetectable	5zmqD-3rx8A: 18.06 5zmqE-3rx8A: 8.85

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1TKQ_B_DVAB8_0","GRAMICIDIN A","3rx8","CELLULASE","Alicyclobacillus acidocaldarius",4,"VAL A 479;GLY A 480;VAL A 516;TRP A 401","None;None;None;9MR A 601 (-3.9A)","1.33A","1tkqB-3rx8A:undetectable",null],["1ZLQ_A_ACTA1507_0","NICKEL-BINDING PERIPLASMIC PROTEIN","3rx8","CELLULASE","Alicyclobacillus acidocaldarius",3,"GLN A 102;HIS A 462;ARG A 463","None;None;9MR A 603 (-2.7A)","0.75A","1zlqA-3rx8A:undetectable","1tkqB-3rx8A:4.70"],["5VCV_A_1N1A404_2","MEMBRANE-ASSOCIATED TYROSINE- AND THREONINE-SPECIFIC CDC2-INHIBITORY KINASE","3rx8","CELLULASE","Alicyclobacillus acidocaldarius",4,"VAL A 518;LEU A 103;CYH A 104;ASP A 146","None;None; ZN A 539 (-2.3A);9MR A 601 ( 2.9A)","1.23A","5vcvA-3rx8A:undetectable","1zlqA-3rx8A:21.17"],["5ZMQ_I_PACI1_0","SERINE PROTEASE NS3;SERINE PROTEASE SUBUNIT NS2B;PEPTIDE PAC-DLY-DLY-DAR","3rx8","CELLULASE","Alicyclobacillus acidocaldarius",3,"VAL A 152;TYR A 300;GLU A 308","None;9MR A 601 (-4.2A); CA A 538 (-2.1A)","0.87A","5zmqD-3rx8A:undetectable;5zmqE-3rx8A:undetectable","5vcvA-3rx8A:22.24"]]