SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BVQ'

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.	2A3A_A_TEPA1434_1 (CHITINASE)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	3 / 3	TRP A 376 THR A 242 TYR A 246	BVQ A 503 (-4.2A) BVQ A 503 (-3.6A) BVQ A 503 (-4.2A)	1.11A	2a3aA-4ur2A: undetectable	2a3aA-4ur2A: 20.53
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.	2A3A_B_TEPB2434_1 (CHITINASE)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	3 / 3	TRP A 376 THR A 242 TYR A 246	BVQ A 503 (-4.2A) BVQ A 503 (-3.6A) BVQ A 503 (-4.2A)	1.09A	2a3aB-4ur2A: undetectable	2a3aB-4ur2A: 20.53
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.	2A3B_A_CFFA1434_1 (CHITINASE)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	3 / 3	TRP A 376 THR A 242 TYR A 246	BVQ A 503 (-4.2A) BVQ A 503 (-3.6A) BVQ A 503 (-4.2A)	1.13A	2a3bA-4ur2A: undetectable	2a3bA-4ur2A: 20.53
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.	2EZ7_A_DHIA301_0 (CARBONIC ANHYDRASE 2)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	4 / 6	ASN A 358 GLN A 364 THR A 345 PRO A 348	BVQ A 503 (-3.7A) BVQ A 503 (-3.1A) None GOL A 515 (-4.3A)	1.46A	2ez7A-4ur2A: undetectable	2ez7A-4ur2A: 18.91
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_F_ZPCF1318_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	5 / 12	GLU A 92 TYR A 382 PHE A 38 TYR A 102 MET A 249	None None BVQ A 503 ( 3.9A) None BVQ A 503 (-3.3A)	1.10A	4a97F-4ur2A: 0.2 4a97J-4ur2A: 0.0	4a97F-4ur2A: 20.95 4a97J-4ur2A: 20.95
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_G_ZPCG1318_1 (CYS-LOOP LIGAND-GATED ION CHANNEL)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	5 / 12	PHE A 38 TYR A 102 MET A 249 GLU A 92 TYR A 382	BVQ A 503 ( 3.9A) None BVQ A 503 (-3.3A) None None	1.14A	4a97F-4ur2A: 0.0 4a97G-4ur2A: 0.0	4a97F-4ur2A: 20.95 4a97G-4ur2A: 20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5M8W_A_4CHA512_0 (TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTICALLY ACTIVE SUBUNIT)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	9 / 9	PHE A 38 TRP A 56 TRP A 96 TYR A 102 TYR A 246 ASN A 272 ARG A 305 TRP A 376 TYR A 382	BVQ A 503 ( 3.9A) GOL A 513 (-4.3A) None None BVQ A 503 (-4.2A) BVQ A 503 (-3.5A) BVQ A 503 (-2.4A) BVQ A 503 (-4.2A) None	0.27A	5m8wA-4ur2A: 68.3	5m8wA-4ur2A: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5M8W_B_4CHB507_0 (TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTICALLY ACTIVE SUBUNIT)	4ur2	TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA (Sulfurospirillum multivorans)	9 / 9	PHE A 38 TRP A 56 TRP A 96 TYR A 102 TYR A 246 ASN A 272 ARG A 305 TRP A 376 TYR A 382	BVQ A 503 ( 3.9A) GOL A 513 (-4.3A) None None BVQ A 503 (-4.2A) BVQ A 503 (-3.5A) BVQ A 503 (-2.4A) BVQ A 503 (-4.2A) None	0.32A	5m8wB-4ur2A: 66.3	5m8wB-4ur2A: 100.00

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2A3A_A_TEPA1434_1","CHITINASE","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",3,"TRP A 376;THR A 242;TYR A 246","BVQ A 503 (-4.2A);BVQ A 503 (-3.6A);BVQ A 503 (-4.2A)","1.11A","2a3aA-4ur2A:undetectable",null],["2A3A_B_TEPB2434_1","CHITINASE","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",3,"TRP A 376;THR A 242;TYR A 246","BVQ A 503 (-4.2A);BVQ A 503 (-3.6A);BVQ A 503 (-4.2A)","1.09A","2a3aB-4ur2A:undetectable","2a3aA-4ur2A:20.53"],["2A3B_A_CFFA1434_1","CHITINASE","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",3,"TRP A 376;THR A 242;TYR A 246","BVQ A 503 (-4.2A);BVQ A 503 (-3.6A);BVQ A 503 (-4.2A)","1.13A","2a3bA-4ur2A:undetectable","2a3aB-4ur2A:20.53"],["2EZ7_A_DHIA301_0","CARBONIC ANHYDRASE 2","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",4,"ASN A 358;GLN A 364;THR A 345;PRO A 348","BVQ A 503 (-3.7A);BVQ A 503 (-3.1A);None;GOL A 515 (-4.3A)","1.46A","2ez7A-4ur2A:undetectable","2a3bA-4ur2A:20.53"],["4A97_F_ZPCF1318_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",5,"GLU A  92;TYR A 382;PHE A  38;TYR A 102;MET A 249","None;None;BVQ A 503 ( 3.9A);None;BVQ A 503 (-3.3A)","1.10A","4a97F-4ur2A:0.2;4a97J-4ur2A:0.0","2ez7A-4ur2A:18.91"],["4A97_G_ZPCG1318_1","CYS-LOOP LIGAND-GATED ION CHANNEL;CYS-LOOP LIGAND-GATED ION CHANNEL","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",5,"PHE A  38;TYR A 102;MET A 249;GLU A  92;TYR A 382","BVQ A 503 ( 3.9A);None;BVQ A 503 (-3.3A);None;None","1.14A","4a97F-4ur2A:0.0;4a97G-4ur2A:0.0","4a97F-4ur2A:20.95;4a97J-4ur2A:20.95"],["5M8W_A_4CHA512_0","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTICALLY ACTIVE SUBUNIT","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",9,"PHE A  38;TRP A  56;TRP A  96;TYR A 102;TYR A 246;ASN A 272;ARG A 305;TRP A 376;TYR A 382","BVQ A 503 ( 3.9A);GOL A 513 (-4.3A);None;None;BVQ A 503 (-4.2A);BVQ A 503 (-3.5A);BVQ A 503 (-2.4A);BVQ A 503 (-4.2A);None","0.27A","5m8wA-4ur2A:68.3","4a97F-4ur2A:20.95;4a97G-4ur2A:20.95"],["5M8W_B_4CHB507_0","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTICALLY ACTIVE SUBUNIT","4ur2","TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT PCEA","Sulfurospirillum multivorans",9,"PHE A  38;TRP A  56;TRP A  96;TYR A 102;TYR A 246;ASN A 272;ARG A 305;TRP A 376;TYR A 382","BVQ A 503 ( 3.9A);GOL A 513 (-4.3A);None;None;BVQ A 503 (-4.2A);BVQ A 503 (-3.5A);BVQ A 503 (-2.4A);BVQ A 503 (-4.2A);None","0.32A","5m8wB-4ur2A:66.3","5m8wA-4ur2A:100.00"]]