SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2XP'

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.	1D4F_B_ADNB602_2 (S-ADENOSYLHOMOCYSTEI NE HYDROLASE)	3vsj	2-AMINO-5-CHLOROPHEN OL 1,6-DIOXYGENASE BETA SUBUNIT (Comamonas testosteroni)	4 / 5	THR B 133 THR B 134 THR B 282 HIS B 16	None None 2XP B 402 (-3.6A) None	1.42A	1d4fB-3vsjB: undetectable	1d4fB-3vsjB: 20.67
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.	1HMY_A_SAMA328_0 (HAEIII METHYLTRANSFERASE)	3vsj	2-AMINO-5-CHLOROPHEN OL 1,6-DIOXYGENASE BETA SUBUNIT (Comamonas testosteroni)	5 / 8	PHE B 90 ASP B 128 ILE B 132 THR B 131 PRO B 15	None None None None 2XP B 402 (-4.4A)	1.39A	1hmyA-3vsjB: undetectable	1hmyA-3vsjB: 22.89
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.	1XOS_A_VIAA1_1 (CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4B)	3vsj	2-AMINO-5-CHLOROPHEN OL 1,6-DIOXYGENASE ALPHA SUBUNIT 2-AMINO-5-CHLOROPHEN OL 1,6-DIOXYGENASE BETA SUBUNIT (Comamonas testosteroni)	5 / 12	ASP A 58 LEU A 57 SER B 30 PHE B 86 ILE B 280	None None None 2XP B 402 (-4.3A) None	1.33A	1xosA-3vsjA: undetectable	1xosA-3vsjA: 20.40
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.	2UVN_B_ECNB1406_1 (CYTOCHROME P450 130)	3vsj	2-AMINO-5-CHLOROPHEN OL 1,6-DIOXYGENASE BETA SUBUNIT (Comamonas testosteroni)	5 / 11	PRO B 213 MET B 208 THR B 278 GLY B 283 THR B 192	None None None None 2XP B 402 (-3.2A)	1.45A	2uvnB-3vsjB: undetectable	2uvnB-3vsjB: 22.78
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.	3TBG_A_RTZA2_1 (CYTOCHROME P450 2D6)	3vsj	2-AMINO-5-CHLOROPHEN OL 1,6-DIOXYGENASE BETA SUBUNIT (Comamonas testosteroni)	5 / 11	THR B 133 THR B 282 VAL B 279 GLU B 251 LEU B 137	None 2XP B 402 (-3.6A) 2XP B 402 ( 4.6A) FE2 B 401 ( 2.5A) None	1.32A	3tbgA-3vsjB: undetectable	3tbgA-3vsjB: 21.83

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1D4F_B_ADNB602_2","S-ADENOSYLHOMOCYSTEINE HYDROLASE","3vsj","2-AMINO-5-CHLOROPHENOL 1,6-DIOXYGENASE BETA SUBUNIT","Comamonas testosteroni",4,"THR B 133;THR B 134;THR B 282;HIS B  16","None;None;2XP B 402 (-3.6A);None","1.42A","1d4fB-3vsjB:undetectable",null],["1HMY_A_SAMA328_0","HAEIII METHYLTRANSFERASE","3vsj","2-AMINO-5-CHLOROPHENOL 1,6-DIOXYGENASE BETA SUBUNIT","Comamonas testosteroni",5,"PHE B  90;ASP B 128;ILE B 132;THR B 131;PRO B  15","None;None;None;None;2XP B 402 (-4.4A)","1.39A","1hmyA-3vsjB:undetectable","1d4fB-3vsjB:20.67"],["1XOS_A_VIAA1_1","CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4B","3vsj","2-AMINO-5-CHLOROPHENOL 1,6-DIOXYGENASE ALPHA SUBUNIT;2-AMINO-5-CHLOROPHENOL 1,6-DIOXYGENASE BETA SUBUNIT","Comamonas testosteroni",5,"ASP A  58;LEU A  57;SER B  30;PHE B  86;ILE B 280","None;None;None;2XP B 402 (-4.3A);None","1.33A","1xosA-3vsjA:undetectable","1hmyA-3vsjB:22.89"],["2UVN_B_ECNB1406_1","CYTOCHROME P450 130","3vsj","2-AMINO-5-CHLOROPHENOL 1,6-DIOXYGENASE BETA SUBUNIT","Comamonas testosteroni",5,"PRO B 213;MET B 208;THR B 278;GLY B 283;THR B 192","None;None;None;None;2XP B 402 (-3.2A)","1.45A","2uvnB-3vsjB:undetectable","1xosA-3vsjA:20.40"],["3TBG_A_RTZA2_1","CYTOCHROME P450 2D6","3vsj","2-AMINO-5-CHLOROPHENOL 1,6-DIOXYGENASE BETA SUBUNIT","Comamonas testosteroni",5,"THR B 133;THR B 282;VAL B 279;GLU B 251;LEU B 137","None;2XP B 402 (-3.6A);2XP B 402 ( 4.6A);FE2 B 401 ( 2.5A);None","1.32A","3tbgA-3vsjB:undetectable","2uvnB-3vsjB:22.78"]]