SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3e99'

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.	1IBG_H_OBNH1_2 (IGG2B-KAPPA 40-50 FAB (HEAVY CHAIN) IGG2B-KAPPA 40-50 FAB (LIGHT CHAIN))	3e99	BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT (Burkholderia mallei)	4 / 7	THR A 89 SER A 116 HIS A 91 SER A 17	None	1.09A	1ibgL-3e99A: undetectable	1ibgL-3e99A: 20.96
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.	2XYT_D_TC9D1206_2 (SOLUBLE ACETYLCHOLINE RECEPTOR)	3e99	BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT (Burkholderia mallei)	4 / 8	THR A 114 TYR A 125 ILE A 163 SER A 116	None	1.09A	2xytE-3e99A: undetectable	2xytE-3e99A: 24.20
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.	2XYT_G_TC9G1206_2 (SOLUBLE ACETYLCHOLINE RECEPTOR)	3e99	BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT (Burkholderia mallei)	4 / 8	THR A 114 TYR A 125 ILE A 163 SER A 116	None	1.08A	2xytH-3e99A: undetectable	2xytH-3e99A: 24.20
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.	3PEO_F_CU9F301_2 (SOLUBLE ACETYLCHOLINE RECEPTOR)	3e99	BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT (Burkholderia mallei)	4 / 6	THR A 114 TYR A 125 ILE A 163 SER A 116	None	1.11A	3peoG-3e99A: undetectable	3peoG-3e99A: 23.91

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1IBG_H_OBNH1_2","IGG2B-KAPPA 40-50 FAB (HEAVY CHAIN);IGG2B-KAPPA 40-50 FAB (LIGHT CHAIN)","3e99","BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT","Burkholderia mallei",4,"THR A  89;SER A 116;HIS A  91;SER A  17","None","1.09A","1ibgL-3e99A:undetectable","1ibgL-3e99A:20.96"],["2XYT_D_TC9D1206_2","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","3e99","BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT","Burkholderia mallei",4,"THR A 114;TYR A 125;ILE A 163;SER A 116","None","1.09A","2xytE-3e99A:undetectable","2xytE-3e99A:24.20"],["2XYT_G_TC9G1206_2","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","3e99","BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT","Burkholderia mallei",4,"THR A 114;TYR A 125;ILE A 163;SER A 116","None","1.08A","2xytH-3e99A:undetectable","2xytH-3e99A:24.20"],["3PEO_F_CU9F301_2","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","3e99","BENZOATE 1,2-DIOXYGENASE BETA SUBUNIT","Burkholderia mallei",4,"THR A 114;TYR A 125;ILE A 163;SER A 116","None","1.11A","3peoG-3e99A:undetectable","3peoG-3e99A:23.91"]]