SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'X1X'

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.	3APV_B_TP0B190_1 (ALPHA-1-ACID GLYCOPROTEIN 2)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	PHE A 43 PHE A 211 GLU A 212 ALA A 216 TYR A 196	X1X A 401 (-4.7A) None None None X1X A 401 (-3.7A)	1.46A	3apvB-4nx1A: undetectable	3apvB-4nx1A: 18.37
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.	3APW_A_DP0A190_1 (ALPHA-1-ACID GLYCOPROTEIN 2)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	PHE A 43 PHE A 211 GLU A 212 ALA A 216 TYR A 196	X1X A 401 (-4.7A) None None None X1X A 401 (-3.7A)	1.44A	3apwA-4nx1A: undetectable	3apwA-4nx1A: 18.37
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.	3LSL_G_PZIG800_0 (GLUTAMATE RECEPTOR 2)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 6	TYR A 196 MET A 36 ASN A 220 LEU A 221	X1X A 401 (-3.7A) None None None	1.49A	3lslG-4nx1A: 5.4	3lslG-4nx1A: 21.93
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.	4AT0_A_ACTA1490_0 (3-KETOSTEROID-DELTA4 -5ALPHA-DEHYDROGENAS E)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	3 / 3	GLU A 75 TYR A 78 SER A 35	X1X A 401 (-2.8A) None None	0.90A	4at0A-4nx1A: undetectable	4at0A-4nx1A: 24.25
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.	4FEW_E_KANE301_1 (AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERAS E APHA1-IAB)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 11	ASP A 279 ASN A 213 GLU A 212 SER A 236 HIS A 235	None X1X A 401 (-3.1A) None None None	1.30A	4fewE-4nx1A: 0.0 4fewF-4nx1A: 0.0	4fewE-4nx1A: 20.06 4fewF-4nx1A: 20.06
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.	5ESK_A_1YNA701_1 (LANOSTEROL 14-ALPHA DEMETHYLASE)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	GLY A 150 TYR A 196 ILE A 194 GLY A 210 THR A 152	None X1X A 401 (-3.7A) None None None	1.18A	5eskA-4nx1A: undetectable	5eskA-4nx1A: 21.30
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.	5ESL_A_1YNA701_1 (LANOSTEROL 14-ALPHA DEMETHYLASE)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	5 / 12	GLY A 150 TYR A 196 ILE A 194 GLY A 210 THR A 152	None X1X A 401 (-3.7A) None None None	1.25A	5eslA-4nx1A: undetectable	5eslA-4nx1A: 21.48
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.	5NY7_A_NCAA303_0 (AMIDASE)	4nx1	C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN (Sulfitobacter sp. NAS-14.1)	4 / 6	ARG A 153 GLY A 149 GLU A 214 SER A 217	X1X A 401 (-3.1A) None X1X A 401 (-2.7A) X1X A 401 (-3.7A)	1.06A	5ny7A-4nx1A: undetectable	5ny7A-4nx1A: 25.91

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3APV_B_TP0B190_1","ALPHA-1-ACID GLYCOPROTEIN 2","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",5,"PHE A  43;PHE A 211;GLU A 212;ALA A 216;TYR A 196","X1X A 401 (-4.7A);None;None;None;X1X A 401 (-3.7A)","1.46A","3apvB-4nx1A:undetectable",null],["3APW_A_DP0A190_1","ALPHA-1-ACID GLYCOPROTEIN 2","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",5,"PHE A  43;PHE A 211;GLU A 212;ALA A 216;TYR A 196","X1X A 401 (-4.7A);None;None;None;X1X A 401 (-3.7A)","1.44A","3apwA-4nx1A:undetectable","3apvB-4nx1A:18.37"],["3LSL_G_PZIG800_0","GLUTAMATE RECEPTOR 2","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",4,"TYR A 196;MET A  36;ASN A 220;LEU A 221","X1X A 401 (-3.7A);None;None;None","1.49A","3lslG-4nx1A:5.4","3apwA-4nx1A:18.37"],["4AT0_A_ACTA1490_0","3-KETOSTEROID-DELTA4-5ALPHA-DEHYDROGENASE","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",3,"GLU A  75;TYR A  78;SER A  35","X1X A 401 (-2.8A);None;None","0.90A","4at0A-4nx1A:undetectable","3lslG-4nx1A:21.93"],["4FEW_E_KANE301_1","AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE APHA1-IAB;AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE APHA1-IAB","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",5,"ASP A 279;ASN A 213;GLU A 212;SER A 236;HIS A 235","None;X1X A 401 (-3.1A);None;None;None","1.30A","4fewE-4nx1A:0.0;4fewF-4nx1A:0.0","4at0A-4nx1A:24.25"],["5ESK_A_1YNA701_1","LANOSTEROL 14-ALPHA DEMETHYLASE","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A 150;TYR A 196;ILE A 194;GLY A 210;THR A 152","None;X1X A 401 (-3.7A);None;None;None","1.18A","5eskA-4nx1A:undetectable","4fewE-4nx1A:20.06;4fewF-4nx1A:20.06"],["5ESL_A_1YNA701_1","LANOSTEROL 14-ALPHA DEMETHYLASE","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",5,"GLY A 150;TYR A 196;ILE A 194;GLY A 210;THR A 152","None;X1X A 401 (-3.7A);None;None;None","1.25A","5eslA-4nx1A:undetectable","5eskA-4nx1A:21.30"],["5NY7_A_NCAA303_0","AMIDASE","4nx1","C4-DICARBOXYLATE TRANSPORT SYSTEM SUBSTRATE-BINDING PROTEIN","Sulfitobacter sp. NAS-14.1",4,"ARG A 153;GLY A 149;GLU A 214;SER A 217","X1X A 401 (-3.1A);None;X1X A 401 (-2.7A);X1X A 401 (-3.7A)","1.06A","5ny7A-4nx1A:undetectable","5eslA-4nx1A:21.48"]]