SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1rkr'

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.	1OE1_A_CUA501_0 (DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.30A	1oe1A-1rkrA: 4.3	1oe1A-1rkrA: 19.50
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.	1OE2_A_CUA501_0 (DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 5	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.30A	1oe2A-1rkrA: 8.6	1oe2A-1rkrA: 19.50
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.	1OE3_A_CUA501_0 (DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.35A	1oe3A-1rkrA: 4.2	1oe3A-1rkrA: 19.50
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.	2FQD_A_CUA601_0 (BLUE COPPER OXIDASE CUEO)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.50A	2fqdA-1rkrA: 3.5	2fqdA-1rkrA: 15.15
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.	2FQE_A_CUA601_0 (BLUE COPPER OXIDASE CUEO)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.48A	2fqeA-1rkrA: 3.5	2fqeA-1rkrA: 15.15
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.	2FQF_A_CUA601_0 (BLUE COPPER OXIDASE CUEO)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.48A	2fqfA-1rkrA: 3.5	2fqfA-1rkrA: 15.15
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.	2FQG_A_CUA601_0 (BLUE COPPER OXIDASE CUEO)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.51A	2fqgA-1rkrA: 3.2	2fqgA-1rkrA: 15.15
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.	2QBN_A_CAMA442_0 (CYTOCHROME P450-CAM)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 7	VAL A 49 VAL A 95 ASP A 93 VAL A 31	None	1.03A	2qbnA-1rkrA: undetectable	2qbnA-1rkrA: 15.04
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.	2VJ1_A_BEZA1303_0 (SARS CORONAVIRUS MAIN PROTEINASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	3 / 3	HIS A 117 MET A 121 MET A 44	CU A 200 (-3.0A) CU A 200 (-3.1A) None	1.39A	2vj1A-1rkrA: undetectable	2vj1A-1rkrA: 17.71
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.	2XXG_A_CUA1337_0 (DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.32A	2xxgA-1rkrA: 8.6	2xxgA-1rkrA: 20.06
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.	2XXG_C_CUC1338_0 (DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 5	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.31A	2xxgC-1rkrA: 8.6	2xxgC-1rkrA: 20.06
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.	2ZS9_A_PAUA603_0 (PANTOTHENATE KINASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 6	VAL A 43 ASP A 11 HIS A 35 ASN A 42	None	1.49A	2zs9A-1rkrA: undetectable	2zs9A-1rkrA: 18.87
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.	3IK3_A_0LIA1_2 (PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 7	LEU A 68 TYR A 72 VAL A 31 MET A 44	None	0.98A	3ik3A-1rkrA: undetectable	3ik3A-1rkrA: 17.01
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.	3IK3_B_0LIB2_2 (PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 7	LEU A 68 TYR A 72 VAL A 31 MET A 44	None	1.01A	3ik3B-1rkrA: undetectable	3ik3B-1rkrA: 17.01
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.	3KO0_M_TFPM201_1 (PROTEIN S100-A4)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 7	GLY A 89 PHE A 111 GLY A 9 PHE A 15	None	1.00A	3ko0M-1rkrA: undetectable 3ko0P-1rkrA: undetectable	3ko0M-1rkrA: 22.79 3ko0P-1rkrA: 22.79
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.	3MIH_A_CUA358_0 (PEPTIDYL-GLYCINE ALPHA-AMIDATING MONOOXYGENASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	3 / 3	HIS A 117 HIS A 46 MET A 44	CU A 200 (-3.0A) CU A 200 (-3.1A) None	0.96A	3mihA-1rkrA: undetectable	3mihA-1rkrA: 18.06
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.	3ZTV_A_ADNA1600_1 (NAD NUCLEOTIDASE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	5 / 9	GLY A 89 GLY A 88 ASN A 42 GLY A 37 ASP A 11	None	1.25A	3ztvA-1rkrA: undetectable	3ztvA-1rkrA: 13.21
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.	4BZ6_B_SHHB700_1 (HISTONE DEACETYLASE 8)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	5 / 12	HIS A 117 HIS A 46 PHE A 114 HIS A 35 GLY A 12	CU A 200 (-3.0A) CU A 200 (-3.1A) None None None	1.47A	4bz6A-1rkrA: undetectable 4bz6B-1rkrA: undetectable	4bz6A-1rkrA: 13.84 4bz6B-1rkrA: 13.84
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.	4EF3_A_CUA1001_0 (BLUE COPPER OXIDASE CUEO)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 4	HIS A 46 CYH A 112 HIS A 117 MET A 121	CU A 200 (-3.1A) CU A 200 (-2.1A) CU A 200 (-3.0A) CU A 200 (-3.1A)	0.49A	4ef3A-1rkrA: 3.5	4ef3A-1rkrA: 14.08
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.	4RZV_A_032A801_1 (SERINE/THREONINE-PRO TEIN KINASE B-RAF)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	5 / 12	ILE A 87 THR A 84 SER A 4 PHE A 15 GLY A 9	None	0.90A	4rzvA-1rkrA: undetectable	4rzvA-1rkrA: 19.22
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.	6F32_B_ACTB602_0 (AMINE OXIDASE LKCE)	1rkr	AZURIN-I (Achromobacter xylosoxidans)	4 / 6	ASN A 47 TYR A 72 VAL A 49 VAL A 60	None	1.24A	6f32B-1rkrA: undetectable	6f32B-1rkrA: 17.29

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1OE1_A_CUA501_0","DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.30A","1oe1A-1rkrA:4.3","1oe1A-1rkrA:19.50"],["1OE2_A_CUA501_0","DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.30A","1oe2A-1rkrA:8.6","1oe2A-1rkrA:19.50"],["1OE3_A_CUA501_0","DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.35A","1oe3A-1rkrA:4.2","1oe3A-1rkrA:19.50"],["2FQD_A_CUA601_0","BLUE COPPER OXIDASE CUEO","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.50A","2fqdA-1rkrA:3.5","2fqdA-1rkrA:15.15"],["2FQE_A_CUA601_0","BLUE COPPER OXIDASE CUEO","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.48A","2fqeA-1rkrA:3.5","2fqeA-1rkrA:15.15"],["2FQF_A_CUA601_0","BLUE COPPER OXIDASE CUEO","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.48A","2fqfA-1rkrA:3.5","2fqfA-1rkrA:15.15"],["2FQG_A_CUA601_0","BLUE COPPER OXIDASE CUEO","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.51A","2fqgA-1rkrA:3.2","2fqgA-1rkrA:15.15"],["2QBN_A_CAMA442_0","CYTOCHROME P450-CAM","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"VAL A  49;VAL A  95;ASP A  93;VAL A  31","None","1.03A","2qbnA-1rkrA:undetectable","2qbnA-1rkrA:15.04"],["2VJ1_A_BEZA1303_0","SARS CORONAVIRUS MAIN PROTEINASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",3,"HIS A 117;MET A 121;MET A  44"," CU A 200 (-3.0A); CU A 200 (-3.1A);None","1.39A","2vj1A-1rkrA:undetectable","2vj1A-1rkrA:17.71"],["2XXG_A_CUA1337_0","DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.32A","2xxgA-1rkrA:8.6","2xxgA-1rkrA:20.06"],["2XXG_C_CUC1338_0","DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.31A","2xxgC-1rkrA:8.6","2xxgC-1rkrA:20.06"],["2ZS9_A_PAUA603_0","PANTOTHENATE KINASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"VAL A  43;ASP A  11;HIS A  35;ASN A  42","None","1.49A","2zs9A-1rkrA:undetectable","2zs9A-1rkrA:18.87"],["3IK3_A_0LIA1_2","PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"LEU A  68;TYR A  72;VAL A  31;MET A  44","None","0.98A","3ik3A-1rkrA:undetectable","3ik3A-1rkrA:17.01"],["3IK3_B_0LIB2_2","PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"LEU A  68;TYR A  72;VAL A  31;MET A  44","None","1.01A","3ik3B-1rkrA:undetectable","3ik3B-1rkrA:17.01"],["3KO0_M_TFPM201_1","PROTEIN S100-A4;PROTEIN S100-A4","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"GLY A  89;PHE A 111;GLY A   9;PHE A  15","None","1.00A","3ko0M-1rkrA:undetectable;3ko0P-1rkrA:undetectable","3ko0M-1rkrA:22.79;3ko0P-1rkrA:22.79"],["3MIH_A_CUA358_0","PEPTIDYL-GLYCINE ALPHA-AMIDATING MONOOXYGENASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",3,"HIS A 117;HIS A  46;MET A  44"," CU A 200 (-3.0A); CU A 200 (-3.1A);None","0.96A","3mihA-1rkrA:undetectable","3mihA-1rkrA:18.06"],["3ZTV_A_ADNA1600_1","NAD NUCLEOTIDASE","1rkr","AZURIN-I","Achromobacter xylosoxidans",5,"GLY A  89;GLY A  88;ASN A  42;GLY A  37;ASP A  11","None","1.25A","3ztvA-1rkrA:undetectable","3ztvA-1rkrA:13.21"],["4BZ6_B_SHHB700_1","HISTONE DEACETYLASE 8;HISTONE DEACETYLASE 8","1rkr","AZURIN-I","Achromobacter xylosoxidans",5,"HIS A 117;HIS A  46;PHE A 114;HIS A  35;GLY A  12"," CU A 200 (-3.0A); CU A 200 (-3.1A);None;None;None","1.47A","4bz6A-1rkrA:undetectable;4bz6B-1rkrA:undetectable","4bz6A-1rkrA:13.84;4bz6B-1rkrA:13.84"],["4EF3_A_CUA1001_0","BLUE COPPER OXIDASE CUEO","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"HIS A  46;CYH A 112;HIS A 117;MET A 121"," CU A 200 (-3.1A); CU A 200 (-2.1A); CU A 200 (-3.0A); CU A 200 (-3.1A)","0.49A","4ef3A-1rkrA:3.5","4ef3A-1rkrA:14.08"],["4RZV_A_032A801_1","SERINE\/THREONINE-PROTEIN KINASE B-RAF","1rkr","AZURIN-I","Achromobacter xylosoxidans",5,"ILE A  87;THR A  84;SER A   4;PHE A  15;GLY A   9","None","0.90A","4rzvA-1rkrA:undetectable","4rzvA-1rkrA:19.22"],["6F32_B_ACTB602_0","AMINE OXIDASE LKCE","1rkr","AZURIN-I","Achromobacter xylosoxidans",4,"ASN A  47;TYR A  72;VAL A  49;VAL A  60","None","1.24A","6f32B-1rkrA:undetectable","6f32B-1rkrA:17.29"]]