SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2x8w'

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.	1OQ5_A_CELA701_2 (CARBONIC ANHYDRASE II)	2x8w	METHYLGLYOXAL SYNTHASE (Thermus sp. GH5)	4 / 4	HIS A 9 VAL A 92 THR A 38 LEU A 53	MLI A1126 (-4.5A) None MLI A1126 (-3.6A) None	1.36A	1oq5A-2x8wA: undetectable	1oq5A-2x8wA: 18.97
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.	4FAK_A_SAMA201_0 (RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE H)	2x8w	METHYLGLYOXAL SYNTHASE (Thermus sp. GH5)	5 / 10	ILE A 7 ILE A 42 GLY A 39 GLY A 36 MET A 16	None None None MLI A1126 ( 4.6A) None	1.01A	4fakA-2x8wA: 3.0	4fakA-2x8wA: 21.56
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.	4FAK_A_SAMA201_0 (RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE H)	2x8w	METHYLGLYOXAL SYNTHASE (Thermus sp. GH5)	5 / 10	LEU A 6 ILE A 42 GLY A 39 GLY A 36 MET A 16	None None None MLI A1126 ( 4.6A) None	0.82A	4fakA-2x8wA: 3.0	4fakA-2x8wA: 21.56
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.	4MGH_A_ACTA1320_0 (PHOSPHORIBOSYLFORMYL GLYCINAMIDINE SYNTHASE)	2x8w	METHYLGLYOXAL SYNTHASE (Thermus sp. GH5)	4 / 5	VAL A 76 LEU A 95 ILE A 7 LEU A 6	None	0.87A	4mghA-2x8wA: 2.9	4mghA-2x8wA: 6.72
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_B_GCSB307_1 (CHITOSANASE)	2x8w	METHYLGLYOXAL SYNTHASE (Thermus sp. GH5)	4 / 7	THR A 37 GLY A 36 THR A 38 HIS A 88	MLI A1126 (-3.9A) MLI A1126 ( 4.6A) MLI A1126 (-3.6A) MLI A1126 (-4.1A)	0.97A	4qwpB-2x8wA: undetectable	4qwpB-2x8wA: 20.90
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.	5CYM_A_T27A601_1 (HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT)	2x8w	METHYLGLYOXAL SYNTHASE (Thermus sp. GH5)	5 / 12	PRO A 105 LEU A 74 VAL A 26 TRP A 119 LEU A 123	None	1.45A	5cymA-2x8wA: undetectable	5cymA-2x8wA: 13.48
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.	5CYQ_A_T27A601_1 (HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT)	2x8w	METHYLGLYOXAL SYNTHASE (Thermus sp. GH5)	5 / 12	PRO A 105 LEU A 74 VAL A 26 TRP A 119 LEU A 123	None	1.44A	5cyqA-2x8wA: undetectable	5cyqA-2x8wA: 13.48

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1OQ5_A_CELA701_2","CARBONIC ANHYDRASE II","2x8w","METHYLGLYOXAL SYNTHASE","Thermus sp. GH5",4,"HIS A   9;VAL A  92;THR A  38;LEU A  53","MLI A1126 (-4.5A);None;MLI A1126 (-3.6A);None","1.36A","1oq5A-2x8wA:undetectable","1oq5A-2x8wA:18.97"],["4FAK_A_SAMA201_0","RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE H","2x8w","METHYLGLYOXAL SYNTHASE","Thermus sp. GH5",5,"ILE A   7;ILE A  42;GLY A  39;GLY A  36;MET A  16","None;None;None;MLI A1126 ( 4.6A);None","1.01A","4fakA-2x8wA:3.0","4fakA-2x8wA:21.56"],["4FAK_A_SAMA201_0","RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE H","2x8w","METHYLGLYOXAL SYNTHASE","Thermus sp. GH5",5,"LEU A   6;ILE A  42;GLY A  39;GLY A  36;MET A  16","None;None;None;MLI A1126 ( 4.6A);None","0.82A","4fakA-2x8wA:3.0","4fakA-2x8wA:21.56"],["4MGH_A_ACTA1320_0","PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE","2x8w","METHYLGLYOXAL SYNTHASE","Thermus sp. GH5",4,"VAL A  76;LEU A  95;ILE A   7;LEU A   6","None","0.87A","4mghA-2x8wA:2.9","4mghA-2x8wA:6.72"],["4QWP_B_GCSB307_1","CHITOSANASE","2x8w","METHYLGLYOXAL SYNTHASE","Thermus sp. GH5",4,"THR A  37;GLY A  36;THR A  38;HIS A  88","MLI A1126 (-3.9A);MLI A1126 ( 4.6A);MLI A1126 (-3.6A);MLI A1126 (-4.1A)","0.97A","4qwpB-2x8wA:undetectable","4qwpB-2x8wA:20.90"],["5CYM_A_T27A601_1","HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT","2x8w","METHYLGLYOXAL SYNTHASE","Thermus sp. GH5",5,"PRO A 105;LEU A  74;VAL A  26;TRP A 119;LEU A 123","None","1.45A","5cymA-2x8wA:undetectable","5cymA-2x8wA:13.48"],["5CYQ_A_T27A601_1","HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT","2x8w","METHYLGLYOXAL SYNTHASE","Thermus sp. GH5",5,"PRO A 105;LEU A  74;VAL A  26;TRP A 119;LEU A 123","None","1.44A","5cyqA-2x8wA:undetectable","5cyqA-2x8wA:13.48"]]