SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2KT'

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.	3F8W_A_ADNA300_1 (PURINE-NUCLEOSIDE PHOSPHORYLASE)	3tdf	DIHYDRODIPICOLINATE SYNTHASE (Acinetobacter baumannii)	5 / 12	SER A 49 ALA A 48 GLY A 76 TYR A 133 GLY A 78	None None None 2KT A 524 (-3.9A) None	1.11A	3f8wA-3tdfA: undetectable	3f8wA-3tdfA: 25.08
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.	3F8W_C_ADNC302_1 (PURINE-NUCLEOSIDE PHOSPHORYLASE)	3tdf	DIHYDRODIPICOLINATE SYNTHASE (Acinetobacter baumannii)	5 / 12	SER A 49 ALA A 48 GLY A 76 TYR A 133 GLY A 78	None None None 2KT A 524 (-3.9A) None	1.09A	3f8wC-3tdfA: undetectable	3f8wC-3tdfA: 25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4WOZ_B_MN9B401_0 (N-ACETYLNEURAMINATE LYASE)	4woq	N-ACETYLNEURAMINATE LYASE (Clostridioides difficile)	5 / 6	SER A 158 LEU A 159 ASP A 160 TYR A 182 LEU A 183	None 2KT A 401 ( 4.4A) None 2KT A 401 (-3.8A) 2KT A 401 ( 4.0A)	0.16A	4wozA-4woqA: 51.6 4wozB-4woqA: 52.0	4wozA-4woqA: 100.00 4wozB-4woqA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4WOZ_F_MN9F401_0 (N-ACETYLNEURAMINATE LYASE)	4woq	N-ACETYLNEURAMINATE LYASE (Clostridioides difficile)	4 / 5	LEU A 159 ASP A 160 TYR A 182 LEU A 183	2KT A 401 ( 4.4A) None 2KT A 401 (-3.8A) 2KT A 401 ( 4.0A)	0.11A	4wozF-4woqA: 51.9 4wozH-4woqA: 52.5	4wozF-4woqA: 100.00 4wozH-4woqA: 100.00

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3F8W_A_ADNA300_1","PURINE-NUCLEOSIDE PHOSPHORYLASE","3tdf","DIHYDRODIPICOLINATE SYNTHASE","Acinetobacter baumannii",5,"SER A  49;ALA A  48;GLY A  76;TYR A 133;GLY A  78","None;None;None;2KT A 524 (-3.9A);None","1.11A","3f8wA-3tdfA:undetectable",null],["3F8W_C_ADNC302_1","PURINE-NUCLEOSIDE PHOSPHORYLASE","3tdf","DIHYDRODIPICOLINATE SYNTHASE","Acinetobacter baumannii",5,"SER A  49;ALA A  48;GLY A  76;TYR A 133;GLY A  78","None;None;None;2KT A 524 (-3.9A);None","1.09A","3f8wC-3tdfA:undetectable","3f8wA-3tdfA:25.08"],["4WOZ_B_MN9B401_0","N-ACETYLNEURAMINATE LYASE","4woq","N-ACETYLNEURAMINATE LYASE","Clostridioides difficile",5,"SER A 158;LEU A 159;ASP A 160;TYR A 182;LEU A 183","None;2KT A 401 ( 4.4A);None;2KT A 401 (-3.8A);2KT A 401 ( 4.0A)","0.16A","4wozA-4woqA:51.6;4wozB-4woqA:52.0","3f8wC-3tdfA:25.08"],["4WOZ_F_MN9F401_0","N-ACETYLNEURAMINATE LYASE","4woq","N-ACETYLNEURAMINATE LYASE","Clostridioides difficile",4,"LEU A 159;ASP A 160;TYR A 182;LEU A 183","2KT A 401 ( 4.4A);None;2KT A 401 (-3.8A);2KT A 401 ( 4.0A)","0.11A","4wozF-4woqA:51.9;4wozH-4woqA:52.5","4wozA-4woqA:100.00;4wozB-4woqA:100.00"]]