SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2i4a'

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.	2FUM_D_MIXD3539_2 (PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNB)	2i4a	THIOREDOXIN (Acetobacter aceti)	3 / 3	VAL A 7 VAL A 55 ASP A 83	None	0.77A	2fumD-2i4aA: undetectable	2fumD-2i4aA: 19.53
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.	3LM8_C_VIBC223_1 (THIAMINE PYROPHOSPHOKINASE)	2i4a	THIOREDOXIN (Acetobacter aceti)	4 / 8	LYS A 57 ASP A 26 LEU A 99 LEU A 78	BME A1001 (-2.9A) None None None	1.00A	3lm8A-2i4aA: undetectable 3lm8C-2i4aA: undetectable	3lm8A-2i4aA: 17.57 3lm8C-2i4aA: 17.57
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.	3PWW_A_ROCA1001_1 (ENDOTHIAPEPSIN)	2i4a	THIOREDOXIN (Acetobacter aceti)	5 / 12	ASP A 88 ASP A 26 LEU A 42 ILE A 60 THR A 77	None	1.05A	3pwwA-2i4aA: undetectable	3pwwA-2i4aA: 17.13
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.	6C2M_D_SUED1202_1 (NS3 PROTEASE)	2i4a	THIOREDOXIN (Acetobacter aceti)	4 / 9	VAL A 72 LEU A 80 VAL A 55 ASP A 26	None	0.98A	6c2mD-2i4aA: undetectable	6c2mD-2i4aA: 19.19

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2FUM_D_MIXD3539_2","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNB","2i4a","THIOREDOXIN","Acetobacter aceti",3,"VAL A   7;VAL A  55;ASP A  83","None","0.77A","2fumD-2i4aA:undetectable","2fumD-2i4aA:19.53"],["3LM8_C_VIBC223_1","THIAMINE PYROPHOSPHOKINASE;THIAMINE PYROPHOSPHOKINASE","2i4a","THIOREDOXIN","Acetobacter aceti",4,"LYS A  57;ASP A  26;LEU A  99;LEU A  78","BME A1001 (-2.9A);None;None;None","1.00A","3lm8A-2i4aA:undetectable;3lm8C-2i4aA:undetectable","3lm8A-2i4aA:17.57;3lm8C-2i4aA:17.57"],["3PWW_A_ROCA1001_1","ENDOTHIAPEPSIN","2i4a","THIOREDOXIN","Acetobacter aceti",5,"ASP A  88;ASP A  26;LEU A  42;ILE A  60;THR A  77","None","1.05A","3pwwA-2i4aA:undetectable","3pwwA-2i4aA:17.13"],["6C2M_D_SUED1202_1","NS3 PROTEASE","2i4a","THIOREDOXIN","Acetobacter aceti",4,"VAL A  72;LEU A  80;VAL A  55;ASP A  26","None","0.98A","6c2mD-2i4aA:undetectable","6c2mD-2i4aA:19.19"]]