SIMILAR PATTERNS OF AMINO ACIDS FOR 4R87_K_SPMK202_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)

Filter list by:

	Hit	Macromolecule/ Organism	Pfam	Res.	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.	1c7t	BETA-N-ACETYLHEXOSAM INIDASE (Serratia marcescens)	PF00728 (Glyco_hydro_20) PF02838 (Glyco_hydro_20b) PF03173 (CHB_HEX) PF03174 (CHB_HEX_C)	5	ASN A 719 GLU A 782 GLU A 708 TYR A 778 GLU A 777	None	1.21A	4r87I-1c7tA: 0.0 4r87K-1c7tA: 0.0	4r87I-1c7tA: 11.10 4r87K-1c7tA: 11.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3wr7	SPERMIDINE N1-ACETYLTRANSFERASE (Escherichia coli)	PF13302 (Acetyltransf_3)	7	MET A 28 TRP A 31 GLU A 33 GLU A 34 TYR A 36 GLU A 37 GLU A 41	None COA A 202 (-4.8A) SPD A 201 (-3.9A) SPD A 201 (-4.0A) SPD A 201 (-4.6A) None SPD A 201 (-3.1A)	0.80A	4r87I-3wr7A: 28.3 4r87K-3wr7A: 28.4	4r87I-3wr7A: 57.06 4r87K-3wr7A: 57.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4mi4	SPERMIDINE N1-ACETYLTRANSFERASE (Vibrio cholerae)	PF13302 (Acetyltransf_3)	8	ASN A 22 MET A 28 TRP A 31 GLU A 33 GLU A 34 TYR A 36 GLU A 37 GLU A 41	SPM A 201 (-3.7A) SPM A 201 ( 4.5A) None SPM A 201 (-3.2A) SPM A 201 (-4.1A) SPM A 201 (-4.7A) SPM A 201 (-3.5A) SPM A 201 (-2.8A)	0.63A	4r87I-4mi4A: 30.1 4r87K-4mi4A: 29.8	4r87I-4mi4A: 100.00 4r87K-4mi4A: 100.00

[["4R87_K_SPMK202_1","1c7t","Serratia marcescens","BETA-N-ACETYLHEXOSAMINIDASE","PF00728(Glyco_hydro_20);PF02838(Glyco_hydro_20b);PF03173(CHB_HEX);PF03174(CHB_HEX_C)",5,"ASN A 719;GLU A 782;GLU A 708;TYR A 778;GLU A 777","None","1.21A","4r87I-1c7tA:0.0;4r87K-1c7tA:0.0","4r87I-1c7tA:11.10;4r87K-1c7tA:11.10"],["4R87_K_SPMK202_1","3wr7","Escherichia coli","SPERMIDINE N1-ACETYLTRANSFERASE","PF13302(Acetyltransf_3)",7,"MET A  28;TRP A  31;GLU A  33;GLU A  34;TYR A  36;GLU A  37;GLU A  41","None;COA A 202 (-4.8A);SPD A 201 (-3.9A);SPD A 201 (-4.0A);SPD A 201 (-4.6A);None;SPD A 201 (-3.1A)","0.80A","4r87I-3wr7A:28.3;4r87K-3wr7A:28.4","4r87I-3wr7A:57.06;4r87K-3wr7A:57.06"],["4R87_K_SPMK202_1","4mi4","Vibrio cholerae","SPERMIDINE N1-ACETYLTRANSFERASE","PF13302(Acetyltransf_3)",8,"ASN A  22;MET A  28;TRP A  31;GLU A  33;GLU A  34;TYR A  36;GLU A  37;GLU A  41","SPM A 201 (-3.7A);SPM A 201 ( 4.5A);None;SPM A 201 (-3.2A);SPM A 201 (-4.1A);SPM A 201 (-4.7A);SPM A 201 (-3.5A);SPM A 201 (-2.8A)","0.63A","4r87I-4mi4A:30.1;4r87K-4mi4A:29.8","4r87I-4mi4A:100.00;4r87K-4mi4A:100.00"]]