SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ROI'

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.	1BU5_B_RBFB302_1 (PROTEIN (FLAVODOXIN))	1cbk	PROTEIN (7,8-DIHYDRO-6-HYDRO XYMETHYLPTERIN-PYROP HOSPHOKINASE) (Haemophilus influenzae)	4 / 8	ASN A 11 ASP A 117 GLY A 9 ASP A 95	None None ROI A 601 ( 3.8A) ROI A 601 (-4.6A)	0.90A	1bu5B-1cbkA: undetectable	1bu5B-1cbkA: 19.51
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.	1WG8_B_SAMB3141_1 (PREDICTED S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	1cbk	PROTEIN (7,8-DIHYDRO-6-HYDRO XYMETHYLPTERIN-PYROP HOSPHOKINASE) (Haemophilus influenzae)	3 / 3	HIS A 115 ASP A 95 ASN A 11	None ROI A 601 (-4.6A) None	0.68A	1wg8B-1cbkA: undetectable	1wg8B-1cbkA: 21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4M5M_A_DX4A401_0 (2-AMINO-4-HYDROXY-6- HYDROXYMETHYLDIHYDRO PTERIDINE PYROPHOSPHOKINASE)	1cbk	PROTEIN (7,8-DIHYDRO-6-HYDRO XYMETHYLPTERIN-PYROP HOSPHOKINASE) (Haemophilus influenzae)	5 / 8	GLY A 9 LEU A 46 TYR A 54 ASN A 56 PHE A 123	ROI A 601 ( 3.8A) ROI A 601 (-4.2A) ROI A 601 (-3.6A) ROI A 601 (-3.0A) ROI A 601 (-3.4A)	0.45A	4m5mA-1cbkA: 26.3	4m5mA-1cbkA: 56.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4M5M_A_DX4A401_0 (2-AMINO-4-HYDROXY-6- HYDROXYMETHYLDIHYDRO PTERIDINE PYROPHOSPHOKINASE)	1cbk	PROTEIN (7,8-DIHYDRO-6-HYDRO XYMETHYLPTERIN-PYROP HOSPHOKINASE) (Haemophilus influenzae)	5 / 8	GLY A 9 TYR A 54 ASN A 56 ARG A 92 PHE A 123	ROI A 601 ( 3.8A) ROI A 601 (-3.6A) ROI A 601 (-3.0A) SO4 A 501 ( 2.9A) ROI A 601 (-3.4A)	0.36A	4m5mA-1cbkA: 26.3	4m5mA-1cbkA: 56.36

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1BU5_B_RBFB302_1","PROTEIN (FLAVODOXIN)","1cbk","PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE)","Haemophilus influenzae",4,"ASN A  11;ASP A 117;GLY A   9;ASP A  95","None;None;ROI A 601 ( 3.8A);ROI A 601 (-4.6A)","0.90A","1bu5B-1cbkA:undetectable",null],["1WG8_B_SAMB3141_1","PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","1cbk","PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE)","Haemophilus influenzae",3,"HIS A 115;ASP A  95;ASN A  11","None;ROI A 601 (-4.6A);None","0.68A","1wg8B-1cbkA:undetectable","1bu5B-1cbkA:19.51"],["4M5M_A_DX4A401_0","2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE","1cbk","PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE)","Haemophilus influenzae",5,"GLY A   9;LEU A  46;TYR A  54;ASN A  56;PHE A 123","ROI A 601 ( 3.8A);ROI A 601 (-4.2A);ROI A 601 (-3.6A);ROI A 601 (-3.0A);ROI A 601 (-3.4A)","0.45A","4m5mA-1cbkA:26.3","1wg8B-1cbkA:21.33"],["4M5M_A_DX4A401_0","2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE","1cbk","PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE)","Haemophilus influenzae",5,"GLY A   9;TYR A  54;ASN A  56;ARG A  92;PHE A 123","ROI A 601 ( 3.8A);ROI A 601 (-3.6A);ROI A 601 (-3.0A);SO4 A 501 ( 2.9A);ROI A 601 (-3.4A)","0.36A","4m5mA-1cbkA:26.3","4m5mA-1cbkA:56.36"]]