SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DGJ'

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.	2V3D_A_NBVA1503_1 (GLUCOSYLCERAMIDASE)	4cu8	GLYCOSIDE HYDROLASE 2 (Streptococcus pneumoniae)	5 / 12	ASN A 563 GLU A 564 TYR A 624 GLU A 645 TRP A 708	DGJ A1985 (-2.8A) EDO A2021 ( 3.0A) EDO A2021 ( 4.4A) DGJ A1985 (-2.9A) DGJ A1985 (-3.7A)	0.63A	2v3dA-4cu8A: 15.5	2v3dA-4cu8A: 20.00
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.	2V3D_B_NBVB1504_1 (GLUCOSYLCERAMIDASE)	4cu8	GLYCOSIDE HYDROLASE 2 (Streptococcus pneumoniae)	5 / 11	ASN A 563 GLU A 564 TYR A 624 GLU A 645 TRP A 708	DGJ A1985 (-2.8A) EDO A2021 ( 3.0A) EDO A2021 ( 4.4A) DGJ A1985 (-2.9A) DGJ A1985 (-3.7A)	0.65A	2v3dB-4cu8A: 13.4	2v3dB-4cu8A: 20.00
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.	3I9J_B_NCAB302_0 (ADP-RIBOSYL CYCLASE)	4cu8	GLYCOSIDE HYDROLASE 2 (Streptococcus pneumoniae)	4 / 6	GLU A 564 ASN A 563 SER A 625 PHE A 601	EDO A2021 ( 3.0A) DGJ A1985 (-2.8A) None None	1.17A	3i9jB-4cu8A: undetectable	3i9jB-4cu8A: 14.06
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.	6MN4_E_AM2E301_0 (AMINOGLYCOSIDE N(3)-ACETYLTRANSFERA SE, AAC(3)-IVA)	4cu8	GLYCOSIDE HYDROLASE 2 (Streptococcus pneumoniae)	4 / 7	TRP A 708 HIS A 484 THR A 483 GLU A 564	DGJ A1985 (-3.7A) DGJ A1985 ( 3.8A) None EDO A2021 ( 3.0A)	0.94A	6mn4E-4cu8A: undetectable	6mn4E-4cu8A: 15.08

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2V3D_A_NBVA1503_1","GLUCOSYLCERAMIDASE","4cu8","GLYCOSIDE HYDROLASE 2","Streptococcus pneumoniae",5,"ASN A 563;GLU A 564;TYR A 624;GLU A 645;TRP A 708","DGJ A1985 (-2.8A);EDO A2021 ( 3.0A);EDO A2021 ( 4.4A);DGJ A1985 (-2.9A);DGJ A1985 (-3.7A)","0.63A","2v3dA-4cu8A:15.5",null],["2V3D_B_NBVB1504_1","GLUCOSYLCERAMIDASE","4cu8","GLYCOSIDE HYDROLASE 2","Streptococcus pneumoniae",5,"ASN A 563;GLU A 564;TYR A 624;GLU A 645;TRP A 708","DGJ A1985 (-2.8A);EDO A2021 ( 3.0A);EDO A2021 ( 4.4A);DGJ A1985 (-2.9A);DGJ A1985 (-3.7A)","0.65A","2v3dB-4cu8A:13.4","2v3dA-4cu8A:20.00"],["3I9J_B_NCAB302_0","ADP-RIBOSYL CYCLASE","4cu8","GLYCOSIDE HYDROLASE 2","Streptococcus pneumoniae",4,"GLU A 564;ASN A 563;SER A 625;PHE A 601","EDO A2021 ( 3.0A);DGJ A1985 (-2.8A);None;None","1.17A","3i9jB-4cu8A:undetectable","2v3dB-4cu8A:20.00"],["6MN4_E_AM2E301_0","AMINOGLYCOSIDE N(3)-ACETYLTRANSFERASE, AAC(3)-IVA","4cu8","GLYCOSIDE HYDROLASE 2","Streptococcus pneumoniae",4,"TRP A 708;HIS A 484;THR A 483;GLU A 564","DGJ A1985 (-3.7A);DGJ A1985 ( 3.8A);None;EDO A2021 ( 3.0A)","0.94A","6mn4E-4cu8A:undetectable","3i9jB-4cu8A:14.06"]]