SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qu1'

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.	1SGU_B_MK1B2632_2 (POL POLYPROTEIN)	3qu1	PEPTIDE DEFORMYLASE 2 (Vibrio cholerae)	5 / 12	GLY A 90 ILE A 6 GLY A 44 ILE A 45 ALA A 48	None	0.83A	1sguB-3qu1A: undetectable	1sguB-3qu1A: 23.57
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.	2Q6F_C_010C6_0 (INFECTIOUS BRONCHITIS VIRUS (IBV) MAIN PROTEASE N-[(5-METHYLISOXAZOL -3-YL)CARBONYL]ALANY L-L-VALYL-N~1~-((1R, 2Z)-4-(BENZYLOXY)-4- OXO-1-{[(3R)-2-OXOPY RROLIDIN-3-YL]METHYL }BUT-2-ENYL)-L-LEUCI NAMIDE)	3qu1	PEPTIDE DEFORMYLASE 2 (Vibrio cholerae)	3 / 3	ASN A 141 LEU A 142 HIS A 137	None None ZN A 501 (-3.2A)	0.75A	2q6fB-3qu1A: undetectable	2q6fB-3qu1A: 19.74
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.	2QHF_A_ACTA507_0 (CHORISMATE SYNTHASE)	3qu1	PEPTIDE DEFORMYLASE 2 (Vibrio cholerae)	3 / 3	LEU A 142 ASN A 141 ARG A 15	None None CL A 508 (-4.6A)	0.93A	2qhfA-3qu1A: undetectable	2qhfA-3qu1A: 19.02
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.	3IA4_D_MTXD164_2 (DIHYDROFOLATE REDUCTASE)	3qu1	PEPTIDE DEFORMYLASE 2 (Vibrio cholerae)	3 / 3	ARG A 103 ILE A 61 THR A 41	None	0.67A	3ia4D-3qu1A: undetectable	3ia4D-3qu1A: 26.23
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.	3IJD_A_C2FA314_0 (UNCHARACTERIZED PROTEIN)	3qu1	PEPTIDE DEFORMYLASE 2 (Vibrio cholerae)	5 / 12	THR A 41 LEU A 92 VAL A 52 GLY A 53 ILE A 58	None	1.06A	3ijdA-3qu1A: undetectable	3ijdA-3qu1A: 19.03
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.	4A7B_B_HAEB1270_1 (COLLAGENASE 3)	3qu1	PEPTIDE DEFORMYLASE 2 (Vibrio cholerae)	4 / 5	LEU A 38 HIS A 133 GLU A 134 HIS A 137	None ZN A 501 (-3.3A) ZN A 505 (-2.1A) ZN A 501 (-3.2A)	1.10A	4a7bB-3qu1A: undetectable	4a7bB-3qu1A: 21.16

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1SGU_B_MK1B2632_2","POL POLYPROTEIN","3qu1","PEPTIDE DEFORMYLASE 2","Vibrio cholerae",5,"GLY A  90;ILE A   6;GLY A  44;ILE A  45;ALA A  48","None","0.83A","1sguB-3qu1A:undetectable","1sguB-3qu1A:23.57"],["2Q6F_C_010C6_0","INFECTIOUS BRONCHITIS VIRUS (IBV) MAIN PROTEASE;N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE","3qu1","PEPTIDE DEFORMYLASE 2","Vibrio cholerae",3,"ASN A 141;LEU A 142;HIS A 137","None;None; ZN A 501 (-3.2A)","0.75A","2q6fB-3qu1A:undetectable","2q6fB-3qu1A:19.74"],["2QHF_A_ACTA507_0","CHORISMATE SYNTHASE","3qu1","PEPTIDE DEFORMYLASE 2","Vibrio cholerae",3,"LEU A 142;ASN A 141;ARG A  15","None;None; CL A 508 (-4.6A)","0.93A","2qhfA-3qu1A:undetectable","2qhfA-3qu1A:19.02"],["3IA4_D_MTXD164_2","DIHYDROFOLATE REDUCTASE","3qu1","PEPTIDE DEFORMYLASE 2","Vibrio cholerae",3,"ARG A 103;ILE A  61;THR A  41","None","0.67A","3ia4D-3qu1A:undetectable","3ia4D-3qu1A:26.23"],["3IJD_A_C2FA314_0","UNCHARACTERIZED PROTEIN","3qu1","PEPTIDE DEFORMYLASE 2","Vibrio cholerae",5,"THR A  41;LEU A  92;VAL A  52;GLY A  53;ILE A  58","None","1.06A","3ijdA-3qu1A:undetectable","3ijdA-3qu1A:19.03"],["4A7B_B_HAEB1270_1","COLLAGENASE 3","3qu1","PEPTIDE DEFORMYLASE 2","Vibrio cholerae",4,"LEU A  38;HIS A 133;GLU A 134;HIS A 137","None; ZN A 501 (-3.3A); ZN A 505 (-2.1A); ZN A 501 (-3.2A)","1.10A","4a7bB-3qu1A:undetectable","4a7bB-3qu1A:21.16"]]