SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CXE'

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.	1A28_B_STRB2_1 (PROGESTERONE RECEPTOR)	5syt	CAAX PRENYL PROTEASE 1 HOMOLOG (Homo sapiens)	5 / 12	LEU A 185 LEU A 179 GLN A 175 LEU A 388 THR A 204	None None None CXE A 504 ( 3.3A) CXE A 504 ( 3.8A)	1.39A	1a28B-5sytA: undetectable	1a28B-5sytA: 19.67
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.	2KCE_B_D16B568_1 (THYMIDYLATE SYNTHASE)	1p4t	OUTER MEMBRANE PROTEIN NSPA (Neisseria meningitidis)	5 / 12	SER A 56 LEU A 61 LEU A 21 GLY A 22 VAL A 139	None None None CXE A 500 (-4.1A) CXE A 500 ( 4.9A)	1.14A	2kceB-1p4tA: undetectable	2kceB-1p4tA: 17.79
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.	3SUF_C_SUEC1201_1 (NS3 PROTEASE, NS4A PROTEIN)	1p4t	OUTER MEMBRANE PROTEIN NSPA (Neisseria meningitidis)	5 / 11	TYR A 132 GLY A 107 GLY A 65 ALA A 84 ALA A 68	CXE A 300 ( 4.8A) None None CXE A 400 ( 4.9A) CXE A 400 ( 3.8A)	1.14A	3sufC-1p4tA: undetectable	3sufC-1p4tA: 21.63
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.	4OLB_A_TRPA901_0 (PROTEIN ARGONAUTE-2)	3fid	PUTATIVE OUTER MEMBRANE PROTEIN (LPXR) (Salmonella enterica)	3 / 3	VAL A 223 ALA A 183 PHE A 199	CXE A 307 (-4.3A) CXE A 306 ( 4.4A) None	0.82A	4olbA-3fidA: undetectable	4olbA-3fidA: 15.56
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.	4W5N_A_IPHA901_0 (PROTEIN ARGONAUTE-2)	3fid	PUTATIVE OUTER MEMBRANE PROTEIN (LPXR) (Salmonella enterica)	3 / 3	VAL A 223 ALA A 183 PHE A 199	CXE A 307 (-4.3A) CXE A 306 ( 4.4A) None	0.85A	4w5nA-3fidA: undetectable	4w5nA-3fidA: 15.56
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.	5KBW_B_RBFB201_1 (RIBOFLAVIN TRANSPORTER RIBU)	1p4t	OUTER MEMBRANE PROTEIN NSPA (Neisseria meningitidis)	5 / 12	LEU A 61 GLY A 145 ALA A 24 VAL A 142 ASN A 51	None None CXE A 500 ( 4.1A) CXE A 500 ( 4.5A) None	1.24A	5kbwB-1p4tA: undetectable	5kbwB-1p4tA: 19.34

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1A28_B_STRB2_1","PROGESTERONE RECEPTOR","5syt","CAAX PRENYL PROTEASE 1 HOMOLOG","Homo sapiens",5,"LEU A 185;LEU A 179;GLN A 175;LEU A 388;THR A 204","None;None;None;CXE A 504 ( 3.3A);CXE A 504 ( 3.8A)","1.39A","1a28B-5sytA:undetectable",null],["2KCE_B_D16B568_1","THYMIDYLATE SYNTHASE","1p4t","OUTER MEMBRANE PROTEIN NSPA","Neisseria meningitidis",5,"SER A  56;LEU A  61;LEU A  21;GLY A  22;VAL A 139","None;None;None;CXE A 500 (-4.1A);CXE A 500 ( 4.9A)","1.14A","2kceB-1p4tA:undetectable","1a28B-5sytA:19.67"],["3SUF_C_SUEC1201_1","NS3 PROTEASE, NS4A PROTEIN","1p4t","OUTER MEMBRANE PROTEIN NSPA","Neisseria meningitidis",5,"TYR A 132;GLY A 107;GLY A  65;ALA A  84;ALA A  68","CXE A 300 ( 4.8A);None;None;CXE A 400 ( 4.9A);CXE A 400 ( 3.8A)","1.14A","3sufC-1p4tA:undetectable","2kceB-1p4tA:17.79"],["4OLB_A_TRPA901_0","PROTEIN ARGONAUTE-2","3fid","PUTATIVE OUTER MEMBRANE PROTEIN (LPXR)","Salmonella enterica",3,"VAL A 223;ALA A 183;PHE A 199","CXE A 307 (-4.3A);CXE A 306 ( 4.4A);None","0.82A","4olbA-3fidA:undetectable","3sufC-1p4tA:21.63"],["4W5N_A_IPHA901_0","PROTEIN ARGONAUTE-2","3fid","PUTATIVE OUTER MEMBRANE PROTEIN (LPXR)","Salmonella enterica",3,"VAL A 223;ALA A 183;PHE A 199","CXE A 307 (-4.3A);CXE A 306 ( 4.4A);None","0.85A","4w5nA-3fidA:undetectable","4olbA-3fidA:15.56"],["5KBW_B_RBFB201_1","RIBOFLAVIN TRANSPORTER RIBU","1p4t","OUTER MEMBRANE PROTEIN NSPA","Neisseria meningitidis",5,"LEU A  61;GLY A 145;ALA A  24;VAL A 142;ASN A  51","None;None;CXE A 500 ( 4.1A);CXE A 500 ( 4.5A);None","1.24A","5kbwB-1p4tA:undetectable","4w5nA-3fidA:15.56"]]