SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'VNJ'

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)

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	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.	5DNU_A_BEZA319_0 (SHKAI2IB)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 5	HIS A 60 ILE A 55 ILE A 171 TYR A 76	VNJ A 501 (-4.2A) None None None	1.00A	5dnuA-4cz1A: undetectable	5dnuA-4cz1A: 20.70
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.	5DNV_A_BEZA304_0 (SHKAI2IB)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 5	HIS A 60 ILE A 55 ILE A 171 TYR A 76	VNJ A 501 (-4.2A) None None None	1.04A	5dnvA-4cz1A: undetectable	5dnvA-4cz1A: 20.70
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.	5M45_A_ACTA802_0 (ACETONE CARBOXYLASE ALPHA SUBUNIT)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 6	HIS A 60 ASP A 56 HIS A 161 TRP A 20	VNJ A 501 (-4.2A) ZN A 401 ( 2.5A) ZN A 401 (-3.4A) VNJ A 501 (-3.6A)	1.29A	5m45A-4cz1A: undetectable	5m45A-4cz1A: 14.51
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.	5M45_D_ACTD802_0 (ACETONE CARBOXYLASE ALPHA SUBUNIT)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 6	HIS A 60 ASP A 56 HIS A 161 TRP A 20	VNJ A 501 (-4.2A) ZN A 401 ( 2.5A) ZN A 401 (-3.4A) VNJ A 501 (-3.6A)	1.29A	5m45D-4cz1A: undetectable	5m45D-4cz1A: 14.51
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.	5M45_G_ACTG802_0 (ACETONE CARBOXYLASE ALPHA SUBUNIT)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 6	HIS A 60 ASP A 56 HIS A 161 TRP A 20	VNJ A 501 (-4.2A) ZN A 401 ( 2.5A) ZN A 401 (-3.4A) VNJ A 501 (-3.6A)	1.29A	5m45G-4cz1A: undetectable	5m45G-4cz1A: 14.51
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.	5M45_J_ACTJ802_0 (ACETONE CARBOXYLASE ALPHA SUBUNIT)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 6	HIS A 60 ASP A 56 HIS A 161 TRP A 20	VNJ A 501 (-4.2A) ZN A 401 ( 2.5A) ZN A 401 (-3.4A) VNJ A 501 (-3.6A)	1.29A	5m45J-4cz1A: undetectable	5m45J-4cz1A: 14.51
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.	5NCD_A_ACTA301_0 (PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 6	ASP A 56 HIS A 60 HIS A 161 HIS A 54	ZN A 401 ( 2.5A) VNJ A 501 (-4.2A) ZN A 401 (-3.4A) ZN A 402 (-3.5A)	0.73A	5ncdA-4cz1A: undetectable 5ncdD-4cz1A: undetectable	5ncdA-4cz1A: 22.14 5ncdD-4cz1A: 22.14
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.	5NCD_C_ACTC301_0 (PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 6	ASP A 56 HIS A 60 HIS A 161 HIS A 54	ZN A 401 ( 2.5A) VNJ A 501 (-4.2A) ZN A 401 (-3.4A) ZN A 402 (-3.5A)	0.71A	5ncdB-4cz1A: undetectable 5ncdC-4cz1A: undetectable	5ncdB-4cz1A: 22.14 5ncdC-4cz1A: 22.14
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.	5NEK_B_AZMB302_1 (PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 8	ASP A 56 HIS A 60 HIS A 161 HIS A 54	ZN A 401 ( 2.5A) VNJ A 501 (-4.2A) ZN A 401 (-3.4A) ZN A 402 (-3.5A)	0.84A	5nekB-4cz1A: undetectable	5nekB-4cz1A: 18.75
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.	5NEK_D_AZMD302_1 (PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 8	ASP A 56 HIS A 60 HIS A 161 HIS A 54	ZN A 401 ( 2.5A) VNJ A 501 (-4.2A) ZN A 401 (-3.4A) ZN A 402 (-3.5A)	0.81A	5nekD-4cz1A: undetectable	5nekD-4cz1A: 18.75
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.	5NEL_A_ACTA302_0 (PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE)	4cz1	KYNURENINE FORMAMIDASE (Bacillus anthracis)	4 / 6	ASP A 56 HIS A 60 HIS A 161 HIS A 54	ZN A 401 ( 2.5A) VNJ A 501 (-4.2A) ZN A 401 (-3.4A) ZN A 402 (-3.5A)	0.75A	5nelA-4cz1A: undetectable 5nelD-4cz1A: undetectable	5nelA-4cz1A: 22.14 5nelD-4cz1A: 22.14

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["5DNU_A_BEZA319_0","SHKAI2IB","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"HIS A  60;ILE A  55;ILE A 171;TYR A  76","VNJ A 501 (-4.2A);None;None;None","1.00A","5dnuA-4cz1A:undetectable",null],["5DNV_A_BEZA304_0","SHKAI2IB","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"HIS A  60;ILE A  55;ILE A 171;TYR A  76","VNJ A 501 (-4.2A);None;None;None","1.04A","5dnvA-4cz1A:undetectable","5dnuA-4cz1A:20.70"],["5M45_A_ACTA802_0","ACETONE CARBOXYLASE ALPHA SUBUNIT","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"HIS A  60;ASP A  56;HIS A 161;TRP A  20","VNJ A 501 (-4.2A); ZN A 401 ( 2.5A); ZN A 401 (-3.4A);VNJ A 501 (-3.6A)","1.29A","5m45A-4cz1A:undetectable","5dnvA-4cz1A:20.70"],["5M45_D_ACTD802_0","ACETONE CARBOXYLASE ALPHA SUBUNIT","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"HIS A  60;ASP A  56;HIS A 161;TRP A  20","VNJ A 501 (-4.2A); ZN A 401 ( 2.5A); ZN A 401 (-3.4A);VNJ A 501 (-3.6A)","1.29A","5m45D-4cz1A:undetectable","5m45A-4cz1A:14.51"],["5M45_G_ACTG802_0","ACETONE CARBOXYLASE ALPHA SUBUNIT","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"HIS A  60;ASP A  56;HIS A 161;TRP A  20","VNJ A 501 (-4.2A); ZN A 401 ( 2.5A); ZN A 401 (-3.4A);VNJ A 501 (-3.6A)","1.29A","5m45G-4cz1A:undetectable","5m45D-4cz1A:14.51"],["5M45_J_ACTJ802_0","ACETONE CARBOXYLASE ALPHA SUBUNIT","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"HIS A  60;ASP A  56;HIS A 161;TRP A  20","VNJ A 501 (-4.2A); ZN A 401 ( 2.5A); ZN A 401 (-3.4A);VNJ A 501 (-3.6A)","1.29A","5m45J-4cz1A:undetectable","5m45G-4cz1A:14.51"],["5NCD_A_ACTA301_0","PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"ASP A  56;HIS A  60;HIS A 161;HIS A  54"," ZN A 401 ( 2.5A);VNJ A 501 (-4.2A); ZN A 401 (-3.4A); ZN A 402 (-3.5A)","0.73A","5ncdA-4cz1A:undetectable;5ncdD-4cz1A:undetectable","5m45J-4cz1A:14.51"],["5NCD_C_ACTC301_0","PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"ASP A  56;HIS A  60;HIS A 161;HIS A  54"," ZN A 401 ( 2.5A);VNJ A 501 (-4.2A); ZN A 401 (-3.4A); ZN A 402 (-3.5A)","0.71A","5ncdB-4cz1A:undetectable;5ncdC-4cz1A:undetectable","5ncdA-4cz1A:22.14;5ncdD-4cz1A:22.14"],["5NEK_B_AZMB302_1","PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"ASP A  56;HIS A  60;HIS A 161;HIS A  54"," ZN A 401 ( 2.5A);VNJ A 501 (-4.2A); ZN A 401 (-3.4A); ZN A 402 (-3.5A)","0.84A","5nekB-4cz1A:undetectable","5ncdB-4cz1A:22.14;5ncdC-4cz1A:22.14"],["5NEK_D_AZMD302_1","PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"ASP A  56;HIS A  60;HIS A 161;HIS A  54"," ZN A 401 ( 2.5A);VNJ A 501 (-4.2A); ZN A 401 (-3.4A); ZN A 402 (-3.5A)","0.81A","5nekD-4cz1A:undetectable","5nekB-4cz1A:18.75"],["5NEL_A_ACTA302_0","PEPTIDOGLYCAN N-ACETYLGLUCOSAMINE DEACETYLASE","4cz1","KYNURENINE FORMAMIDASE","Bacillus anthracis",4,"ASP A  56;HIS A  60;HIS A 161;HIS A  54"," ZN A 401 ( 2.5A);VNJ A 501 (-4.2A); ZN A 401 (-3.4A); ZN A 402 (-3.5A)","0.75A","5nelA-4cz1A:undetectable;5nelD-4cz1A:undetectable","5nekD-4cz1A:18.75"]]