SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4nvs'

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.	3O94_B_NCAB192_0 (NICOTINAMIDASE)	4nvs	PUTATIVE ENZYME, GLYOXALASE FAMILY (Clostridioides difficile)	5 / 11	LEU A 24 ASP A 110 PHE A 72 LEU A 38 ILE A 42	None	1.35A	3o94B-4nvsA: undetectable	3o94B-4nvsA: 19.25
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.	3U9F_R_CLMR221_0 (CHLORAMPHENICOL ACETYLTRANSFERASE)	4nvs	PUTATIVE ENZYME, GLYOXALASE FAMILY (Clostridioides difficile)	5 / 10	PHE A 72 PHE A 108 PHE A 19 LEU A 44 VAL A 10	None	1.34A	3u9fR-4nvsA: undetectable	3u9fR-4nvsA: 21.67
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.	4RMJ_A_NCAA402_0 (NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2)	4nvs	PUTATIVE ENZYME, GLYOXALASE FAMILY (Clostridioides difficile)	4 / 7	ILE A 29 LEU A 26 ASN A 41 ILE A 42	None	0.86A	4rmjA-4nvsA: undetectable	4rmjA-4nvsA: 19.60
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.	4XP6_A_B40A601_1 (TRANSPORTER)	4nvs	PUTATIVE ENZYME, GLYOXALASE FAMILY (Clostridioides difficile)	4 / 5	ASP A 110 ASP A 67 PHE A 63 GLY A 65	None	1.20A	4xp6A-4nvsA: undetectable	4xp6A-4nvsA: 14.04
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.	5HQA_A_ACRA705_2 (ALPHA-GLUCOSIDASE)	4nvs	PUTATIVE ENZYME, GLYOXALASE FAMILY (Clostridioides difficile)	4 / 8	PHE A 72 GLU A 69 HIS A 94 THR A 79	None	1.29A	5hqaA-4nvsA: undetectable	5hqaA-4nvsA: 13.00

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3O94_B_NCAB192_0","NICOTINAMIDASE","4nvs","PUTATIVE ENZYME, GLYOXALASE FAMILY","Clostridioides difficile",5,"LEU A  24;ASP A 110;PHE A  72;LEU A  38;ILE A  42","None","1.35A","3o94B-4nvsA:undetectable","3o94B-4nvsA:19.25"],["3U9F_R_CLMR221_0","CHLORAMPHENICOL ACETYLTRANSFERASE","4nvs","PUTATIVE ENZYME, GLYOXALASE FAMILY","Clostridioides difficile",5,"PHE A  72;PHE A 108;PHE A  19;LEU A  44;VAL A  10","None","1.34A","3u9fR-4nvsA:undetectable","3u9fR-4nvsA:21.67"],["4RMJ_A_NCAA402_0","NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2","4nvs","PUTATIVE ENZYME, GLYOXALASE FAMILY","Clostridioides difficile",4,"ILE A  29;LEU A  26;ASN A  41;ILE A  42","None","0.86A","4rmjA-4nvsA:undetectable","4rmjA-4nvsA:19.60"],["4XP6_A_B40A601_1","TRANSPORTER","4nvs","PUTATIVE ENZYME, GLYOXALASE FAMILY","Clostridioides difficile",4,"ASP A 110;ASP A  67;PHE A  63;GLY A  65","None","1.20A","4xp6A-4nvsA:undetectable","4xp6A-4nvsA:14.04"],["5HQA_A_ACRA705_2","ALPHA-GLUCOSIDASE","4nvs","PUTATIVE ENZYME, GLYOXALASE FAMILY","Clostridioides difficile",4,"PHE A  72;GLU A  69;HIS A  94;THR A  79","None","1.29A","5hqaA-4nvsA:undetectable","5hqaA-4nvsA:13.00"]]