SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CSU'

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.	1X1A_A_SAMA4264_0 (CRTF-RELATED PROTEIN)	4f32	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Burkholderia vietnamiensis)	5 / 12	GLU A 358 HIS A 313 ALA A 414 GLY A 352 GLY A 355	None N32 A 501 (-4.0A) None CSU A 172 ( 4.7A) None	1.10A	1x1aA-4f32A: undetectable	1x1aA-4f32A: 23.16
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.	3RUK_B_AERB601_1 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	4f32	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Burkholderia vietnamiensis)	5 / 12	ALA A 216 PHE A 239 ILE A 117 LEU A 351 GLY A 210	N32 A 501 ( 4.2A) N32 A 501 ( 4.3A) None CSU A 172 ( 3.9A) None	0.95A	3rukB-4f32A: undetectable	3rukB-4f32A: 21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4LS7_A_1X9A504_1 (3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2)	4f32	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Burkholderia vietnamiensis)	10 / 12	GLY A 116 ALA A 171 GLU A 200 PHE A 211 HIS A 313 THR A 315 HIS A 349 LEU A 351 GLY A 408 PHE A 409	None CSU A 172 ( 2.7A) None None N32 A 501 (-4.0A) N32 A 501 (-3.4A) N32 A 501 (-3.9A) CSU A 172 ( 3.9A) CSU A 172 (-3.2A) CSU A 172 ( 4.0A)	0.33A	4ls7A-4f32A: 65.7	4ls7A-4f32A: 48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4LS7_B_1X9B503_1 (3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2)	4f32	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Burkholderia vietnamiensis)	8 / 12	ALA A 171 PHE A 211 HIS A 313 THR A 315 HIS A 349 LEU A 351 GLY A 408 PHE A 409	CSU A 172 ( 2.7A) None N32 A 501 (-4.0A) N32 A 501 (-3.4A) N32 A 501 (-3.9A) CSU A 172 ( 3.9A) CSU A 172 (-3.2A) CSU A 172 ( 4.0A)	0.28A	4ls7A-4f32A: 65.7 4ls7B-4f32A: 65.4	4ls7A-4f32A: 48.10 4ls7B-4f32A: 48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4LS7_B_1X9B503_1 (3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2)	4f32	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Burkholderia vietnamiensis)	6 / 12	ILE A 117 ALA A 171 HIS A 313 HIS A 349 GLY A 408 PHE A 409	None CSU A 172 ( 2.7A) N32 A 501 (-4.0A) N32 A 501 (-3.9A) CSU A 172 (-3.2A) CSU A 172 ( 4.0A)	0.64A	4ls7A-4f32A: 65.7 4ls7B-4f32A: 65.4	4ls7A-4f32A: 48.10 4ls7B-4f32A: 48.10
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.	5KB6_B_ADNB401_1 (ADENOSINE KINASE)	4f32	3-OXOACYL-[ACYL-CARR IER-PROTEIN] SYNTHASE 2 (Burkholderia vietnamiensis)	5 / 12	GLY A 242 ALA A 353 GLY A 352 ALA A 354 ILE A 357	None None CSU A 172 ( 4.7A) CSU A 172 ( 4.7A) None	0.93A	5kb6B-4f32A: undetectable	5kb6B-4f32A: 22.69
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.	5OEX_A_CUA602_0 (THIOCYANATE DEHYDROGENASE)	2hzt	PUTATIVE HTH-TYPE TRANSCRIPTIONAL REGULATOR YTCD (Bacillus subtilis)	3 / 3	LYS A 22 HIS A 22 HIS A 25	CSU A 21 ( 2.9A) CSU A 21 ( 2.9A) CSU A 21 ( 4.6A)	1.31A	5oexA-2hztA: undetectable	5oexA-2hztA: 13.65

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1X1A_A_SAMA4264_0","CRTF-RELATED PROTEIN","4f32","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","Burkholderia vietnamiensis",5,"GLU A 358;HIS A 313;ALA A 414;GLY A 352;GLY A 355","None;N32 A 501 (-4.0A);None;CSU A 172 ( 4.7A);None","1.10A","1x1aA-4f32A:undetectable",null],["3RUK_B_AERB601_1","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","4f32","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","Burkholderia vietnamiensis",5,"ALA A 216;PHE A 239;ILE A 117;LEU A 351;GLY A 210","N32 A 501 ( 4.2A);N32 A 501 ( 4.3A);None;CSU A 172 ( 3.9A);None","0.95A","3rukB-4f32A:undetectable","1x1aA-4f32A:23.16"],["4LS7_A_1X9A504_1","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","4f32","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","Burkholderia vietnamiensis",10,"GLY A 116;ALA A 171;GLU A 200;PHE A 211;HIS A 313;THR A 315;HIS A 349;LEU A 351;GLY A 408;PHE A 409","None;CSU A 172 ( 2.7A);None;None;N32 A 501 (-4.0A);N32 A 501 (-3.4A);N32 A 501 (-3.9A);CSU A 172 ( 3.9A);CSU A 172 (-3.2A);CSU A 172 ( 4.0A)","0.33A","4ls7A-4f32A:65.7","3rukB-4f32A:21.64"],["4LS7_B_1X9B503_1","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2;3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","4f32","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","Burkholderia vietnamiensis",8,"ALA A 171;PHE A 211;HIS A 313;THR A 315;HIS A 349;LEU A 351;GLY A 408;PHE A 409","CSU A 172 ( 2.7A);None;N32 A 501 (-4.0A);N32 A 501 (-3.4A);N32 A 501 (-3.9A);CSU A 172 ( 3.9A);CSU A 172 (-3.2A);CSU A 172 ( 4.0A)","0.28A","4ls7A-4f32A:65.7;4ls7B-4f32A:65.4","4ls7A-4f32A:48.10"],["4LS7_B_1X9B503_1","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2;3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","4f32","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","Burkholderia vietnamiensis",6,"ILE A 117;ALA A 171;HIS A 313;HIS A 349;GLY A 408;PHE A 409","None;CSU A 172 ( 2.7A);N32 A 501 (-4.0A);N32 A 501 (-3.9A);CSU A 172 (-3.2A);CSU A 172 ( 4.0A)","0.64A","4ls7A-4f32A:65.7;4ls7B-4f32A:65.4","4ls7A-4f32A:48.10;4ls7B-4f32A:48.10"],["5KB6_B_ADNB401_1","ADENOSINE KINASE","4f32","3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2","Burkholderia vietnamiensis",5,"GLY A 242;ALA A 353;GLY A 352;ALA A 354;ILE A 357","None;None;CSU A 172 ( 4.7A);CSU A 172 ( 4.7A);None","0.93A","5kb6B-4f32A:undetectable","4ls7A-4f32A:48.10;4ls7B-4f32A:48.10"],["5OEX_A_CUA602_0","THIOCYANATE DEHYDROGENASE","2hzt","PUTATIVE HTH-TYPE TRANSCRIPTIONAL REGULATOR YTCD","Bacillus subtilis",3,"LYS A  22;HIS A  22;HIS A  25","CSU A  21 ( 2.9A);CSU A  21 ( 2.9A);CSU A  21 ( 4.6A)","1.31A","5oexA-2hztA:undetectable","5kb6B-4f32A:22.69"]]