SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3s1t'

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.	2BXG_B_IBPB2002_1 (SERUM ALBUMIN)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	6 / 10	ALA A 118 LEU A 119 LEU A 152 ALA A 148 LEU A 158 VAL A 9	None	1.29A	2bxgB-3s1tA: undetectable	2bxgB-3s1tA: 14.78
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.	2BXG_B_IBPB2002_1 (SERUM ALBUMIN)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	6 / 10	ALA A 155 ALA A 118 LEU A 119 LEU A 152 ALA A 148 VAL A 9	None	1.44A	2bxgB-3s1tA: undetectable	2bxgB-3s1tA: 14.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2DTJ_A_THRA401_0 (ASPARTOKINASE)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	5 / 8	ASP A 25 GLY A 28 ALA A 30 GLN A 49 THR A 59	THR A 301 (-3.7A) THR A 301 (-4.0A) THR A 301 (-3.5A) THR A 301 (-2.7A) THR A 301 (-4.8A)	0.14A	2dtjA-3s1tA: 24.9 2dtjB-3s1tA: 24.6	2dtjA-3s1tA: 67.96 2dtjB-3s1tA: 67.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2DTJ_B_THRB402_0 (ASPARTOKINASE)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	5 / 9	ASP A 25 GLY A 28 ALA A 30 GLN A 49 THR A 59	THR A 301 (-3.7A) THR A 301 (-4.0A) THR A 301 (-3.5A) THR A 301 (-2.7A) THR A 301 (-4.8A)	0.21A	2dtjA-3s1tA: 24.9 2dtjB-3s1tA: 24.6	2dtjA-3s1tA: 67.96 2dtjB-3s1tA: 67.96
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.	2EGV_A_SAMA1300_0 (UPF0088 PROTEIN AQ_165)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	5 / 12	LEU A 119 VAL A 124 GLY A 123 LEU A 152 ALA A 148	None	0.92A	2egvA-3s1tA: undetectable	2egvA-3s1tA: 22.86
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.	2EGV_B_SAMB1400_0 (UPF0088 PROTEIN AQ_165)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	5 / 12	LEU A 119 VAL A 124 GLY A 123 LEU A 152 ALA A 148	None	0.95A	2egvB-3s1tA: undetectable	2egvB-3s1tA: 22.86
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.	4QWP_A_GCSA301_1 (CHITOSANASE)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	3 / 3	TYR A 91 GLY A 70 PRO A 71	None	0.73A	4qwpA-3s1tA: undetectable	4qwpA-3s1tA: 22.02
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.	7DFR_A_FOLA161_1 (DIHYDROFOLATE REDUCTASE)	3s1t	ASPARTOKINASE (Mycobacterium tuberculosis)	3 / 3	ASP A 146 LEU A 145 ARG A 67	None	0.76A	7dfrA-3s1tA: undetectable	7dfrA-3s1tA: 23.71

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2BXG_B_IBPB2002_1","SERUM ALBUMIN","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",6,"ALA A 118;LEU A 119;LEU A 152;ALA A 148;LEU A 158;VAL A   9","None","1.29A","2bxgB-3s1tA:undetectable","2bxgB-3s1tA:14.78"],["2BXG_B_IBPB2002_1","SERUM ALBUMIN","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",6,"ALA A 155;ALA A 118;LEU A 119;LEU A 152;ALA A 148;VAL A   9","None","1.44A","2bxgB-3s1tA:undetectable","2bxgB-3s1tA:14.78"],["2DTJ_A_THRA401_0","ASPARTOKINASE","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",5,"ASP A  25;GLY A  28;ALA A  30;GLN A  49;THR A  59","THR A 301 (-3.7A);THR A 301 (-4.0A);THR A 301 (-3.5A);THR A 301 (-2.7A);THR A 301 (-4.8A)","0.14A","2dtjA-3s1tA:24.9;2dtjB-3s1tA:24.6","2dtjA-3s1tA:67.96;2dtjB-3s1tA:67.96"],["2DTJ_B_THRB402_0","ASPARTOKINASE","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",5,"ASP A  25;GLY A  28;ALA A  30;GLN A  49;THR A  59","THR A 301 (-3.7A);THR A 301 (-4.0A);THR A 301 (-3.5A);THR A 301 (-2.7A);THR A 301 (-4.8A)","0.21A","2dtjA-3s1tA:24.9;2dtjB-3s1tA:24.6","2dtjA-3s1tA:67.96;2dtjB-3s1tA:67.96"],["2EGV_A_SAMA1300_0","UPF0088 PROTEIN AQ_165","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",5,"LEU A 119;VAL A 124;GLY A 123;LEU A 152;ALA A 148","None","0.92A","2egvA-3s1tA:undetectable","2egvA-3s1tA:22.86"],["2EGV_B_SAMB1400_0","UPF0088 PROTEIN AQ_165","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",5,"LEU A 119;VAL A 124;GLY A 123;LEU A 152;ALA A 148","None","0.95A","2egvB-3s1tA:undetectable","2egvB-3s1tA:22.86"],["4QWP_A_GCSA301_1","CHITOSANASE","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",3,"TYR A  91;GLY A  70;PRO A  71","None","0.73A","4qwpA-3s1tA:undetectable","4qwpA-3s1tA:22.02"],["7DFR_A_FOLA161_1","DIHYDROFOLATE REDUCTASE","3s1t","ASPARTOKINASE","Mycobacterium tuberculosis",3,"ASP A 146;LEU A 145;ARG A  67","None","0.76A","7dfrA-3s1tA:undetectable","7dfrA-3s1tA:23.71"]]