SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XL2'

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.	1DMA_A_NCAA700_0 (EXOTOXIN A)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	4 / 7	HIS A1682 GLY A1683 TYR A1714 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.6A)	0.16A	1dmaA-4py4A: 5.6	1dmaA-4py4A: 21.37
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.	1DMA_B_NCAB700_0 (EXOTOXIN A)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	5 / 6	HIS A1682 GLY A1683 TYR A1714 ALA A1716 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-3.6A)	0.35A	1dmaB-4py4A: 5.2	1dmaB-4py4A: 21.37
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.	3U9H_A_NCAA1163_0 (TANKYRASE-2)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 8	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.35A	3u9hA-4py4A: 18.7	3u9hA-4py4A: 26.53
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.	3U9H_B_NCAB1164_0 (TANKYRASE-2)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 8	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.37A	3u9hB-4py4A: 18.5	3u9hB-4py4A: 26.53
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.	4AE1_A_NCAA1536_0 (DIPHTHERIA TOXIN)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	4 / 6	HIS A1682 GLY A1683 TYR A1714 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.6A)	0.29A	4ae1A-4py4A: 6.8	4ae1A-4py4A: undetectable
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.	4AE1_B_NCAB1536_0 (DIPHTHERIA TOXIN)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	4 / 5	HIS A1682 GLY A1683 TYR A1714 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.6A)	0.26A	4ae1B-4py4A: 6.2	4ae1B-4py4A: 13.89
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.	4BJC_A_RPBA2162_1 (TANKYRASE-2)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 8	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.29A	4bjcA-4py4A: 18.9	4bjcA-4py4A: 26.53
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.	4HYF_A_NCAA1201_0 (TANKYRASE-2)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 7	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.55A	4hyfA-4py4A: 17.7	4hyfA-4py4A: 26.53
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.	4HYF_B_NCAB1201_0 (TANKYRASE-2)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 8	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.56A	4hyfB-4py4A: 17.7	4hyfB-4py4A: 26.53
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.	4HYF_C_NCAC1201_0 (TANKYRASE-2)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 8	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.53A	4hyfC-4py4A: 17.6	4hyfC-4py4A: 26.53
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.	4RV6_A_RPBA1103_1 (POLY [ADP-RIBOSE] POLYMERASE 1)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 11	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.38A	4rv6A-4py4A: 17.0	4rv6A-4py4A: 20.23
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.	4RV6_B_RPBB1103_1 (POLY [ADP-RIBOSE] POLYMERASE 1)	4py4	POLY [ADP-RIBOSE] POLYMERASE 14 (Homo sapiens)	6 / 11	HIS A1682 GLY A1683 TYR A1714 ALA A1716 SER A1722 TYR A1727	XL2 A1901 (-4.0A) XL2 A1901 (-3.6A) XL2 A1901 (-3.7A) XL2 A1901 (-3.4A) XL2 A1901 (-2.6A) XL2 A1901 (-3.6A)	0.38A	4rv6B-4py4A: 16.6	4rv6B-4py4A: 20.23

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1DMA_A_NCAA700_0","EXOTOXIN A","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",4,"HIS A1682;GLY A1683;TYR A1714;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.6A)","0.16A","1dmaA-4py4A:5.6",null],["1DMA_B_NCAB700_0","EXOTOXIN A","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",5,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-3.6A)","0.35A","1dmaB-4py4A:5.2","1dmaA-4py4A:21.37"],["3U9H_A_NCAA1163_0","TANKYRASE-2","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.35A","3u9hA-4py4A:18.7","1dmaB-4py4A:21.37"],["3U9H_B_NCAB1164_0","TANKYRASE-2","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.37A","3u9hB-4py4A:18.5","3u9hA-4py4A:26.53"],["4AE1_A_NCAA1536_0","DIPHTHERIA TOXIN","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",4,"HIS A1682;GLY A1683;TYR A1714;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.6A)","0.29A","4ae1A-4py4A:6.8","3u9hB-4py4A:26.53"],["4AE1_B_NCAB1536_0","DIPHTHERIA TOXIN","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",4,"HIS A1682;GLY A1683;TYR A1714;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.6A)","0.26A","4ae1B-4py4A:6.2","4ae1A-4py4A:undetectable"],["4BJC_A_RPBA2162_1","TANKYRASE-2","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.29A","4bjcA-4py4A:18.9","4ae1B-4py4A:13.89"],["4HYF_A_NCAA1201_0","TANKYRASE-2","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.55A","4hyfA-4py4A:17.7","4bjcA-4py4A:26.53"],["4HYF_B_NCAB1201_0","TANKYRASE-2","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.56A","4hyfB-4py4A:17.7","4hyfA-4py4A:26.53"],["4HYF_C_NCAC1201_0","TANKYRASE-2","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.53A","4hyfC-4py4A:17.6","4hyfB-4py4A:26.53"],["4RV6_A_RPBA1103_1","POLY [ADP-RIBOSE] POLYMERASE 1","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.38A","4rv6A-4py4A:17.0","4hyfC-4py4A:26.53"],["4RV6_B_RPBB1103_1","POLY [ADP-RIBOSE] POLYMERASE 1","4py4","POLY [ADP-RIBOSE] POLYMERASE 14","Homo sapiens",6,"HIS A1682;GLY A1683;TYR A1714;ALA A1716;SER A1722;TYR A1727","XL2 A1901 (-4.0A);XL2 A1901 (-3.6A);XL2 A1901 (-3.7A);XL2 A1901 (-3.4A);XL2 A1901 (-2.6A);XL2 A1901 (-3.6A)","0.38A","4rv6B-4py4A:16.6","4rv6A-4py4A:20.23"]]