SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2b4i'

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 (%)	View	Dock
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.	1FDW_A_ESTA350_1 (17-BETA-HYDROXYSTERO ID DEHYDROGENASE)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	5 / 10	VAL A 353 SER A 377 VAL A 378 PHE A 275 GLU A 463	None	1.14A	1fdwA-2b4iA: undetectable	1fdwA-2b4iA: 22.35
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.	2Y05_A_RALA801_1 (PROSTAGLANDIN REDUCTASE 1)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	4 / 8	TYR A 355 VAL A 353 SER A 359 TYR A 305	None	1.31A	2y05A-2b4iA: undetectable 2y05B-2b4iA: undetectable	2y05A-2b4iA: 18.98 2y05B-2b4iA: 18.98
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.	3EEY_D_SAMD300_0 (PUTATIVE RRNA METHYLASE)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	5 / 12	GLY A 382 ASP A 384 ILE A 379 LEU A 450 PRO A 451	None	0.97A	3eeyD-2b4iA: undetectable	3eeyD-2b4iA: 21.35
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.	3TYE_B_YTZB902_1 (DIHYDROPTEROATE SYNTHASE)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	3 / 3	PHE A 326 LYS A 346 SER A 349	None	1.37A	3tyeB-2b4iA: undetectable	3tyeB-2b4iA: 26.30
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.	3U8Q_A_NPUA7231_1 (LACTOTRANSFERRIN)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	4 / 5	THR A 381 GLY A 383 ASN A 457 TYR A 462	None	1.26A	3u8qA-2b4iA: undetectable	3u8qA-2b4iA: 20.40
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.	4XR4_B_AG2B511_1 (HOMOSPERMIDINE SYNTHASE)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	3 / 3	VAL A 368 PHE A 362 ARG A 269	None	0.86A	4xr4B-2b4iA: undetectable	4xr4B-2b4iA: 22.15
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.	5ZNI_A_YMZA302_0 (PURINE NUCLEOSIDE PHOSPHORYLASE)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	5 / 9	VAL A 378 GLY A 400 GLU A 433 GLY A 399 PRO A 451	None	1.41A	5zniA-2b4iA: undetectable	5zniA-2b4iA: 15.26
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.	6DHB_A_BEZA202_0 (HEPATITIS A VIRUS CELLULAR RECEPTOR 2)	2b4i	OUTER CAPSID PROTEIN VP4 (Rotavirus A)	4 / 6	ARG A 341 ILE A 345 MET A 323 ASN A 324	None	1.24A	6dhbA-2b4iA: undetectable	6dhbA-2b4iA: 19.12

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1FDW_A_ESTA350_1","17-BETA-HYDROXYSTEROID DEHYDROGENASE","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",5,"VAL A 353;SER A 377;VAL A 378;PHE A 275;GLU A 463","None","1.14A","1fdwA-2b4iA:undetectable","1fdwA-2b4iA:22.35"],["2Y05_A_RALA801_1","PROSTAGLANDIN REDUCTASE 1;PROSTAGLANDIN REDUCTASE 1","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",4,"TYR A 355;VAL A 353;SER A 359;TYR A 305","None","1.31A","2y05A-2b4iA:undetectable;2y05B-2b4iA:undetectable","2y05A-2b4iA:18.98;2y05B-2b4iA:18.98"],["3EEY_D_SAMD300_0","PUTATIVE RRNA METHYLASE","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",5,"GLY A 382;ASP A 384;ILE A 379;LEU A 450;PRO A 451","None","0.97A","3eeyD-2b4iA:undetectable","3eeyD-2b4iA:21.35"],["3TYE_B_YTZB902_1","DIHYDROPTEROATE SYNTHASE","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",3,"PHE A 326;LYS A 346;SER A 349","None","1.37A","3tyeB-2b4iA:undetectable","3tyeB-2b4iA:26.30"],["3U8Q_A_NPUA7231_1","LACTOTRANSFERRIN","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",4,"THR A 381;GLY A 383;ASN A 457;TYR A 462","None","1.26A","3u8qA-2b4iA:undetectable","3u8qA-2b4iA:20.40"],["4XR4_B_AG2B511_1","HOMOSPERMIDINE SYNTHASE","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",3,"VAL A 368;PHE A 362;ARG A 269","None","0.86A","4xr4B-2b4iA:undetectable","4xr4B-2b4iA:22.15"],["5ZNI_A_YMZA302_0","PURINE NUCLEOSIDE PHOSPHORYLASE","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",5,"VAL A 378;GLY A 400;GLU A 433;GLY A 399;PRO A 451","None","1.41A","5zniA-2b4iA:undetectable","5zniA-2b4iA:15.26"],["6DHB_A_BEZA202_0","HEPATITIS A VIRUS CELLULAR RECEPTOR 2","2b4i","OUTER CAPSID PROTEIN VP4","Rotavirus A",4,"ARG A 341;ILE A 345;MET A 323;ASN A 324","None","1.24A","6dhbA-2b4iA:undetectable","6dhbA-2b4iA:19.12"]]