SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2rgq'

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.	1UKB_A_BEZA1300_0 (2-HYDROXY-6-OXO-7-ME THYLOCTA-2,4-DIENOAT E HYDROLASE)	2rgq	DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD (Nostoc punctiforme)	5 / 11	GLY A 45 ALA A 47 ALA A 39 PHE A 34 LEU A 121	None	1.06A	1ukbA-2rgqA: undetectable	1ukbA-2rgqA: 17.95
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.	2X45_A_HSMA1161_1 (ALLERGEN ARG R 1)	2rgq	DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD (Nostoc punctiforme)	4 / 5	VAL A 92 VAL A 126 ASP A 127 SER A 129	None	1.18A	2x45A-2rgqA: undetectable	2x45A-2rgqA: 16.67
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.	2X45_C_HSMC1161_1 (ALLERGEN ARG R 1)	2rgq	DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD (Nostoc punctiforme)	4 / 5	VAL A 92 VAL A 126 ASP A 127 SER A 129	None	1.27A	2x45C-2rgqA: undetectable	2x45C-2rgqA: 16.67
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.	4RN6_A_15UA301_1 (THROMBIN HEAVY CHAIN)	2rgq	DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD (Nostoc punctiforme)	5 / 10	HIS A 70 LEU A 90 LEU A 61 ALA A 59 ALA A 65	None	1.50A	4rn6A-2rgqA: undetectable	4rn6A-2rgqA: 18.77
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.	5M10_A_NCAA603_0 (CYCLOHEXANONE MONOOXYGENASE FROM THERMOCRISPUM MUNICIPALE)	2rgq	DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD (Nostoc punctiforme)	4 / 5	LEU A 40 PHE A 64 LEU A 22 TRP A 44	None	1.36A	5m10A-2rgqA: undetectable	5m10A-2rgqA: 14.02

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1UKB_A_BEZA1300_0","2-HYDROXY-6-OXO-7-METHYLOCTA-2,4-DIENOATE HYDROLASE","2rgq","DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD","Nostoc punctiforme",5,"GLY A  45;ALA A  47;ALA A  39;PHE A  34;LEU A 121","None","1.06A","1ukbA-2rgqA:undetectable","1ukbA-2rgqA:17.95"],["2X45_A_HSMA1161_1","ALLERGEN ARG R 1","2rgq","DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD","Nostoc punctiforme",4,"VAL A  92;VAL A 126;ASP A 127;SER A 129","None","1.18A","2x45A-2rgqA:undetectable","2x45A-2rgqA:16.67"],["2X45_C_HSMC1161_1","ALLERGEN ARG R 1","2rgq","DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD","Nostoc punctiforme",4,"VAL A  92;VAL A 126;ASP A 127;SER A 129","None","1.27A","2x45C-2rgqA:undetectable","2x45C-2rgqA:16.67"],["4RN6_A_15UA301_1","THROMBIN HEAVY CHAIN","2rgq","DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD","Nostoc punctiforme",5,"HIS A  70;LEU A  90;LEU A  61;ALA A  59;ALA A  65","None","1.50A","4rn6A-2rgqA:undetectable","4rn6A-2rgqA:18.77"],["5M10_A_NCAA603_0","CYCLOHEXANONE MONOOXYGENASE FROM THERMOCRISPUM MUNICIPALE","2rgq","DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOLD","Nostoc punctiforme",4,"LEU A  40;PHE A  64;LEU A  22;TRP A  44","None","1.36A","5m10A-2rgqA:undetectable","5m10A-2rgqA:14.02"]]