SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4py3'

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.	3NRR_A_D16A520_1 (DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	4py3	BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS (Bartonella sp. 1-1C)	5 / 12	ASP A 121 PHE A 120 LEU A 117 THR A 162 SER A 151	None	1.12A	3nrrA-4py3A: undetectable	3nrrA-4py3A: 21.97
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.	3NRR_B_D16B520_1 (DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	4py3	BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS (Bartonella sp. 1-1C)	5 / 12	ASP A 121 PHE A 120 LEU A 117 THR A 162 SER A 151	None	1.13A	3nrrB-4py3A: undetectable	3nrrB-4py3A: 21.97
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.	4A97_E_ZPCE1318_2 (CYS-LOOP LIGAND-GATED ION CHANNEL)	4py3	BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS (Bartonella sp. 1-1C)	4 / 6	GLU A 75 PHE A 74 HIS A 17 PHE A 87	None	1.12A	4a97E-4py3A: undetectable	4a97E-4py3A: 21.34
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.	4JSE_A_H4BA804_1 (NITRIC OXIDE SYNTHASE, BRAIN)	4py3	BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS (Bartonella sp. 1-1C)	4 / 7	ARG A 164 VAL A 147 PHE A 211 GLU A 206	None	1.29A	4jseA-4py3A: 1.1 4jseB-4py3A: undetectable	4jseA-4py3A: 20.96 4jseB-4py3A: 20.96
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.	4JSE_B_H4BB802_1 (NITRIC OXIDE SYNTHASE, BRAIN)	4py3	BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS (Bartonella sp. 1-1C)	4 / 7	PHE A 211 GLU A 206 ARG A 164 VAL A 147	None	1.23A	4jseA-4py3A: 1.1 4jseB-4py3A: undetectable	4jseA-4py3A: 20.96 4jseB-4py3A: 20.96
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.	5H5F_A_SAMA301_0 (PROTEIN ARGININE N-METHYLTRANSFERASE SFM1)	4py3	BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS (Bartonella sp. 1-1C)	5 / 12	LEU A 170 PHE A 167 ILE A 214 LEU A 130 ALA A 142	None	1.12A	5h5fA-4py3A: undetectable	5h5fA-4py3A: 24.34
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.	5H5F_A_SAMA301_0 (PROTEIN ARGININE N-METHYLTRANSFERASE SFM1)	4py3	BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS (Bartonella sp. 1-1C)	5 / 12	PHE A 167 ILE A 214 ASP A 216 LEU A 130 ALA A 142	None	1.17A	5h5fA-4py3A: undetectable	5h5fA-4py3A: 24.34

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3NRR_A_D16A520_1","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","4py3","BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS","Bartonella sp. 1-1C",5,"ASP A 121;PHE A 120;LEU A 117;THR A 162;SER A 151","None","1.12A","3nrrA-4py3A:undetectable","3nrrA-4py3A:21.97"],["3NRR_B_D16B520_1","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","4py3","BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS","Bartonella sp. 1-1C",5,"ASP A 121;PHE A 120;LEU A 117;THR A 162;SER A 151","None","1.13A","3nrrB-4py3A:undetectable","3nrrB-4py3A:21.97"],["4A97_E_ZPCE1318_2","CYS-LOOP LIGAND-GATED ION CHANNEL","4py3","BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS","Bartonella sp. 1-1C",4,"GLU A  75;PHE A  74;HIS A  17;PHE A  87","None","1.12A","4a97E-4py3A:undetectable","4a97E-4py3A:21.34"],["4JSE_A_H4BA804_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","4py3","BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS","Bartonella sp. 1-1C",4,"ARG A 164;VAL A 147;PHE A 211;GLU A 206","None","1.29A","4jseA-4py3A:1.1;4jseB-4py3A:undetectable","4jseA-4py3A:20.96;4jseB-4py3A:20.96"],["4JSE_B_H4BB802_1","NITRIC OXIDE SYNTHASE, BRAIN;NITRIC OXIDE SYNTHASE, BRAIN","4py3","BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS","Bartonella sp. 1-1C",4,"PHE A 211;GLU A 206;ARG A 164;VAL A 147","None","1.23A","4jseA-4py3A:1.1;4jseB-4py3A:undetectable","4jseA-4py3A:20.96;4jseB-4py3A:20.96"],["5H5F_A_SAMA301_0","PROTEIN ARGININE N-METHYLTRANSFERASE SFM1","4py3","BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS","Bartonella sp. 1-1C",5,"LEU A 170;PHE A 167;ILE A 214;LEU A 130;ALA A 142","None","1.12A","5h5fA-4py3A:undetectable","5h5fA-4py3A:24.34"],["5H5F_A_SAMA301_0","PROTEIN ARGININE N-METHYLTRANSFERASE SFM1","4py3","BARTONELLA EFFECTOR PROTEIN (BEP) SUBSTRATE OF VIRB T4SS","Bartonella sp. 1-1C",5,"PHE A 167;ILE A 214;ASP A 216;LEU A 130;ALA A 142","None","1.17A","5h5fA-4py3A:undetectable","5h5fA-4py3A:24.34"]]