SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1shm'

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.	1GMK_A_DVAA8_0 (GRAMICIDIN A)	1shm	ANTIBODY RIG (Lama glama)	3 / 4	VAL A 48 TRP A 99 TRP A 36	None	1.16A	1gmkA-1shmA: undetectable 1gmkB-1shmA: undetectable	1gmkA-1shmA: 8.55 1gmkB-1shmA: 8.55
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.	2H4J_A_NCAA1002_0 (NAD-DEPENDENT DEACETYLASE)	1shm	ANTIBODY RIG (Lama glama)	4 / 5	ILE A 97 ASN A 52 ILE A 51 ASP A 33	None	1.07A	2h4jA-1shmA: undetectable	2h4jA-1shmA: 18.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3QXV_E_MTXE2000_1 (ANTI-METHOTREXATE CDR1-4 GRAFT VHH)	1shm	ANTIBODY RIG (Lama glama)	5 / 12	CYH A 22 ALA A 24 SER A 30 VAL A 78 ALA A 94	None	0.97A	3qxvE-1shmA: 18.2	3qxvE-1shmA: 65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3QXV_E_MTXE2000_1 (ANTI-METHOTREXATE CDR1-4 GRAFT VHH)	1shm	ANTIBODY RIG (Lama glama)	5 / 12	CYH A 22 SER A 30 MET A 34 VAL A 78 ALA A 94	None	1.01A	3qxvE-1shmA: 18.2	3qxvE-1shmA: 65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6CJK_B_ACTB302_0 (IMMUNOGLOBULIN FAB HEAVY CHAIN)	1shm	ANTIBODY RIG (Lama glama)	3 / 3	TYR A 59 GLY A 65 THR A 68	None	0.08A	6cjkB-1shmA: 20.3	6cjkB-1shmA: 35.05

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1GMK_A_DVAA8_0","GRAMICIDIN A","1shm","ANTIBODY RIG","Lama glama",3,"VAL A  48;TRP A  99;TRP A  36","None","1.16A","1gmkA-1shmA:undetectable;1gmkB-1shmA:undetectable","1gmkA-1shmA:8.55;1gmkB-1shmA:8.55"],["2H4J_A_NCAA1002_0","NAD-DEPENDENT DEACETYLASE","1shm","ANTIBODY RIG","Lama glama",4,"ILE A  97;ASN A  52;ILE A  51;ASP A  33","None","1.07A","2h4jA-1shmA:undetectable","2h4jA-1shmA:18.62"],["3QXV_E_MTXE2000_1","ANTI-METHOTREXATE CDR1-4 GRAFT VHH","1shm","ANTIBODY RIG","Lama glama",5,"CYH A  22;ALA A  24;SER A  30;VAL A  78;ALA A  94","None","0.97A","3qxvE-1shmA:18.2","3qxvE-1shmA:65.35"],["3QXV_E_MTXE2000_1","ANTI-METHOTREXATE CDR1-4 GRAFT VHH","1shm","ANTIBODY RIG","Lama glama",5,"CYH A  22;SER A  30;MET A  34;VAL A  78;ALA A  94","None","1.01A","3qxvE-1shmA:18.2","3qxvE-1shmA:65.35"],["6CJK_B_ACTB302_0","IMMUNOGLOBULIN FAB HEAVY CHAIN","1shm","ANTIBODY RIG","Lama glama",3,"TYR A  59;GLY A  65;THR A  68","None","0.08A","6cjkB-1shmA:20.3","6cjkB-1shmA:35.05"]]