SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XCC'

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.	2WA2_B_SAMB1267_0 (NON-STRUCTURAL PROTEIN 5)	3i04	CARBON MONOXIDE DEHYDROGENASE/ACETYL -COA SYNTHASE SUBUNIT BETA (Moorella thermoacetica)	5 / 12	GLY A 469 GLY A 109 GLY A 586 THR A 108 LEU A 107	XCC A 800 (-3.6A) None None None None	0.98A	2wa2B-3i04A: 2.7	2wa2B-3i04A: 17.41
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.	2YLG_A_ASCA130_0 (CYTOCHROME C')	3i04	CARBON MONOXIDE DEHYDROGENASE/ACETYL -COA SYNTHASE SUBUNIT BETA (Moorella thermoacetica)	4 / 5	ALA A 588 GLY A 499 CYH A 550 HIS A 113	CYN A 900 ( 4.8A) XCC A 800 ( 4.1A) XCC A 800 ( 2.1A) CYN A 900 (-4.1A)	1.45A	2ylgA-3i04A: undetectable	2ylgA-3i04A: 12.08
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.	3P5N_A_RBFA190_1 (RIBOFLAVIN UPTAKE PROTEIN)	3i04	CARBON MONOXIDE DEHYDROGENASE/ACETYL -COA SYNTHASE SUBUNIT BETA (Moorella thermoacetica)	5 / 12	LEU A 330 GLY A 499 ALA A 502 ALA A 505 LEU A 511	None XCC A 800 ( 4.1A) None None None	1.09A	3p5nA-3i04A: undetectable	3p5nA-3i04A: 15.92
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.	3P5N_B_RBFB190_1 (RIBOFLAVIN UPTAKE PROTEIN)	3i04	CARBON MONOXIDE DEHYDROGENASE/ACETYL -COA SYNTHASE SUBUNIT BETA (Moorella thermoacetica)	5 / 12	LEU A 330 GLY A 499 ALA A 502 ALA A 505 LEU A 511	None XCC A 800 ( 4.1A) None None None	1.09A	3p5nB-3i04A: undetectable	3p5nB-3i04A: 15.92
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.	3V5V_A_ACTA511_0 (UDP-N-ACETYLGLUCOSAM INE 1-CARBOXYVINYLTRANSF ERASE)	3i04	CARBON MONOXIDE DEHYDROGENASE/ACETYL -COA SYNTHASE SUBUNIT BETA (Moorella thermoacetica)	4 / 4	ASN A 471 PHE A 334 SER A 333 GLN A 337	None XCC A 800 (-4.2A) None None	1.37A	3v5vA-3i04A: 0.0	3v5vA-3i04A: 23.70
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.	5JGL_B_SAMB301_0 (UBIE/COQ5 FAMILY METHYLTRANSFERASE, PUTATIVE)	3i04	CARBON MONOXIDE DEHYDROGENASE/ACETYL -COA SYNTHASE SUBUNIT BETA (Moorella thermoacetica)	5 / 12	ALA A 590 GLY A 592 ALA A 110 GLY A 586 SER A 585	None None None None XCC A 800 (-2.9A)	1.36A	5jglB-3i04A: undetectable	5jglB-3i04A: 17.93
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.	5JLI_A_ASCA202_0 (CYTOCHROME C')	3i04	CARBON MONOXIDE DEHYDROGENASE/ACETYL -COA SYNTHASE SUBUNIT BETA (Moorella thermoacetica)	4 / 5	ALA A 588 GLY A 499 CYH A 550 HIS A 113	CYN A 900 ( 4.8A) XCC A 800 ( 4.1A) XCC A 800 ( 2.1A) CYN A 900 (-4.1A)	1.45A	5jliA-3i04A: undetectable	5jliA-3i04A: 12.08

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2WA2_B_SAMB1267_0","NON-STRUCTURAL PROTEIN 5","3i04","CARBON MONOXIDE DEHYDROGENASE\/ACETYL-COA SYNTHASE SUBUNIT BETA","Moorella thermoacetica",5,"GLY A 469;GLY A 109;GLY A 586;THR A 108;LEU A 107","XCC A 800 (-3.6A);None;None;None;None","0.98A","2wa2B-3i04A:2.7",null],["2YLG_A_ASCA130_0","CYTOCHROME C'","3i04","CARBON MONOXIDE DEHYDROGENASE\/ACETYL-COA SYNTHASE SUBUNIT BETA","Moorella thermoacetica",4,"ALA A 588;GLY A 499;CYH A 550;HIS A 113","CYN A 900 ( 4.8A);XCC A 800 ( 4.1A);XCC A 800 ( 2.1A);CYN A 900 (-4.1A)","1.45A","2ylgA-3i04A:undetectable","2wa2B-3i04A:17.41"],["3P5N_A_RBFA190_1","RIBOFLAVIN UPTAKE PROTEIN","3i04","CARBON MONOXIDE DEHYDROGENASE\/ACETYL-COA SYNTHASE SUBUNIT BETA","Moorella thermoacetica",5,"LEU A 330;GLY A 499;ALA A 502;ALA A 505;LEU A 511","None;XCC A 800 ( 4.1A);None;None;None","1.09A","3p5nA-3i04A:undetectable","2ylgA-3i04A:12.08"],["3P5N_B_RBFB190_1","RIBOFLAVIN UPTAKE PROTEIN","3i04","CARBON MONOXIDE DEHYDROGENASE\/ACETYL-COA SYNTHASE SUBUNIT BETA","Moorella thermoacetica",5,"LEU A 330;GLY A 499;ALA A 502;ALA A 505;LEU A 511","None;XCC A 800 ( 4.1A);None;None;None","1.09A","3p5nB-3i04A:undetectable","3p5nA-3i04A:15.92"],["3V5V_A_ACTA511_0","UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE","3i04","CARBON MONOXIDE DEHYDROGENASE\/ACETYL-COA SYNTHASE SUBUNIT BETA","Moorella thermoacetica",4,"ASN A 471;PHE A 334;SER A 333;GLN A 337","None;XCC A 800 (-4.2A);None;None","1.37A","3v5vA-3i04A:0.0","3p5nB-3i04A:15.92"],["5JGL_B_SAMB301_0","UBIE\/COQ5 FAMILY METHYLTRANSFERASE, PUTATIVE","3i04","CARBON MONOXIDE DEHYDROGENASE\/ACETYL-COA SYNTHASE SUBUNIT BETA","Moorella thermoacetica",5,"ALA A 590;GLY A 592;ALA A 110;GLY A 586;SER A 585","None;None;None;None;XCC A 800 (-2.9A)","1.36A","5jglB-3i04A:undetectable","3v5vA-3i04A:23.70"],["5JLI_A_ASCA202_0","CYTOCHROME C'","3i04","CARBON MONOXIDE DEHYDROGENASE\/ACETYL-COA SYNTHASE SUBUNIT BETA","Moorella thermoacetica",4,"ALA A 588;GLY A 499;CYH A 550;HIS A 113","CYN A 900 ( 4.8A);XCC A 800 ( 4.1A);XCC A 800 ( 2.1A);CYN A 900 (-4.1A)","1.45A","5jliA-3i04A:undetectable","5jglB-3i04A:17.93"]]