SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2jll'

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.	3SUF_B_SUEB1201_3 (NS3 PROTEASE, NS4A PROTEIN)	2jll	NEURAL CELL ADHESION MOLECULE 2 (Homo sapiens)	4 / 5	SER A 515 PRO A 499 TYR A 500 VAL A 569	None	1.19A	3sufC-2jllA: undetectable	3sufC-2jllA: 19.74
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.	4BBO_C_ACTC1113_0 (BLR5658 PROTEIN)	2jll	NEURAL CELL ADHESION MOLECULE 2 (Homo sapiens)	4 / 4	ASN A 479 ALA A 400 GLY A 482 THR A 483	None	1.38A	4bboC-2jllA: undetectable	4bboC-2jllA: 14.65
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.	4DTZ_A_LDPA501_1 (CYTOCHROME P450 BM3 VARIANT 8C8)	2jll	NEURAL CELL ADHESION MOLECULE 2 (Homo sapiens)	5 / 6	PHE A 586 ALA A 512 PRO A 561 LEU A 559 THR A 510	None	1.40A	4dtzA-2jllA: undetectable	4dtzA-2jllA: 22.38
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.	5M0I_B_ACTB303_0 (SWI5-DEPENDENT HO EXPRESSION PROTEIN 2)	2jll	NEURAL CELL ADHESION MOLECULE 2 (Homo sapiens)	4 / 5	VAL A 370 THR A 312 ASP A 396 LEU A 395	None	1.34A	5m0iB-2jllA: undetectable	5m0iB-2jllA: 21.59
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.	6MN5_E_LLLE301_0 (AMINOGLYCOSIDE N(3)-ACETYLTRANSFERA SE, AAC(3)-IVA)	2jll	NEURAL CELL ADHESION MOLECULE 2 (Homo sapiens)	4 / 7	ASP A 374 ARG A 336 TYR A 378 ASP A 339	None	1.24A	6mn5E-2jllA: undetectable	6mn5E-2jllA: 12.30

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3SUF_B_SUEB1201_3","NS3 PROTEASE, NS4A PROTEIN;NS3 PROTEASE, NS4A PROTEIN","2jll","NEURAL CELL ADHESION MOLECULE 2","Homo sapiens",4,"SER A 515;PRO A 499;TYR A 500;VAL A 569","None","1.19A","3sufC-2jllA:undetectable","3sufC-2jllA:19.74"],["4BBO_C_ACTC1113_0","BLR5658 PROTEIN","2jll","NEURAL CELL ADHESION MOLECULE 2","Homo sapiens",4,"ASN A 479;ALA A 400;GLY A 482;THR A 483","None","1.38A","4bboC-2jllA:undetectable","4bboC-2jllA:14.65"],["4DTZ_A_LDPA501_1","CYTOCHROME P450 BM3 VARIANT 8C8","2jll","NEURAL CELL ADHESION MOLECULE 2","Homo sapiens",5,"PHE A 586;ALA A 512;PRO A 561;LEU A 559;THR A 510","None","1.40A","4dtzA-2jllA:undetectable","4dtzA-2jllA:22.38"],["5M0I_B_ACTB303_0","SWI5-DEPENDENT HO EXPRESSION PROTEIN 2","2jll","NEURAL CELL ADHESION MOLECULE 2","Homo sapiens",4,"VAL A 370;THR A 312;ASP A 396;LEU A 395","None","1.34A","5m0iB-2jllA:undetectable","5m0iB-2jllA:21.59"],["6MN5_E_LLLE301_0","AMINOGLYCOSIDE N(3)-ACETYLTRANSFERASE, AAC(3)-IVA","2jll","NEURAL CELL ADHESION MOLECULE 2","Homo sapiens",4,"ASP A 374;ARG A 336;TYR A 378;ASP A 339","None","1.24A","6mn5E-2jllA:undetectable","6mn5E-2jllA:12.30"]]