SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PAV'

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.	2BJF_A_DXCA330_0 (CHOLOYLGLYCINE HYDROLASE)	5e68	S-RIBOSYLHOMOCYSTEIN E LYASE (Salmonella enterica)	5 / 12	MET A 14 ALA A 16 ASN A 44 ILE A 142 ILE A 53	None None None None PAV A 202 ( 4.2A)	1.29A	2bjfA-5e68A: undetectable	2bjfA-5e68A: 20.06
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.	2V0M_A_KLNA1501_1 (CYTOCHROME P450 3A4)	3ejw	SMLSRB (Sinorhizobium meliloti)	5 / 10	PHE A 15 ASP A 140 ILE A 297 PHE A 6 ILE A 271	PAV A 400 (-3.7A) PAV A 400 (-3.1A) None None None	1.28A	2v0mA-3ejwA: undetectable	2v0mA-3ejwA: 22.22
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.	2V0M_A_KLNA1501_1 (CYTOCHROME P450 3A4)	3ejw	SMLSRB (Sinorhizobium meliloti)	5 / 10	PHE A 15 ILE A 297 PHE A 6 ILE A 271 GLY A 19	PAV A 400 (-3.7A) None None None None	1.38A	2v0mA-3ejwA: undetectable	2v0mA-3ejwA: 22.22
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.	2X2N_C_X2NC1479_1 (LANOSTEROL 14-ALPHA-DEMETHYLASE)	4pz0	SUGAR ABC TRANSPORTER, SUGAR-BINDING PROTEIN (Bacillus anthracis)	5 / 12	PHE A 47 PHE A 38 ALA A 55 ALA A 279 LEU A 331	PAV A 401 (-3.8A) None None None None	1.07A	2x2nC-4pz0A: undetectable	2x2nC-4pz0A: 19.71
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.	4XE5_A_OBNA1104_1 (SODIUM/POTASSIUM-TRA NSPORTING ATPASE SUBUNIT ALPHA-1)	3ejw	SMLSRB (Sinorhizobium meliloti)	5 / 12	ASP A 90 GLU A 301 GLY A 247 ALA A 23 PHE A 315	PAV A 400 (-2.8A) None None None None	1.21A	4xe5A-3ejwA: 3.2	4xe5A-3ejwA: 15.58
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.	4ZJL_A_ERYA1101_0 (MULTIDRUG EFFLUX PUMP SUBUNIT ACRB)	3t95	AUTOINDUCER 2-BINDING PROTEIN LSRB (Yersinia pestis)	5 / 12	SER A 90 MET A 142 MET A 138 LEU A 323 GLY A 44	PAV A 400 ( 4.5A) None None None None	1.39A	4zjlA-3t95A: 1.6	4zjlA-3t95A: 16.11
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.	5TUD_D_ERMD1201_1 (5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA)	4pz0	SUGAR ABC TRANSPORTER, SUGAR-BINDING PROTEIN (Bacillus anthracis)	5 / 12	SER A 97 VAL A 330 VAL A 335 GLN A 141 LEU A 142	PAV A 401 ( 4.5A) EDO A 407 ( 4.8A) None EDO A 407 ( 3.6A) None	1.24A	5tudD-4pz0A: undetectable	5tudD-4pz0A: 21.88

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2BJF_A_DXCA330_0","CHOLOYLGLYCINE HYDROLASE","5e68","S-RIBOSYLHOMOCYSTEINE LYASE","Salmonella enterica",5,"MET A  14;ALA A  16;ASN A  44;ILE A 142;ILE A  53","None;None;None;None;PAV A 202 ( 4.2A)","1.29A","2bjfA-5e68A:undetectable",null],["2V0M_A_KLNA1501_1","CYTOCHROME P450 3A4","3ejw","SMLSRB","Sinorhizobium meliloti",5,"PHE A  15;ASP A 140;ILE A 297;PHE A   6;ILE A 271","PAV A 400 (-3.7A);PAV A 400 (-3.1A);None;None;None","1.28A","2v0mA-3ejwA:undetectable","2bjfA-5e68A:20.06"],["2V0M_A_KLNA1501_1","CYTOCHROME P450 3A4","3ejw","SMLSRB","Sinorhizobium meliloti",5,"PHE A  15;ILE A 297;PHE A   6;ILE A 271;GLY A  19","PAV A 400 (-3.7A);None;None;None;None","1.38A","2v0mA-3ejwA:undetectable","2v0mA-3ejwA:22.22"],["2X2N_C_X2NC1479_1","LANOSTEROL 14-ALPHA-DEMETHYLASE","4pz0","SUGAR ABC TRANSPORTER, SUGAR-BINDING PROTEIN","Bacillus anthracis",5,"PHE A  47;PHE A  38;ALA A  55;ALA A 279;LEU A 331","PAV A 401 (-3.8A);None;None;None;None","1.07A","2x2nC-4pz0A:undetectable","2v0mA-3ejwA:22.22"],["4XE5_A_OBNA1104_1","SODIUM\/POTASSIUM-TRANSPORTING ATPASE SUBUNIT ALPHA-1","3ejw","SMLSRB","Sinorhizobium meliloti",5,"ASP A  90;GLU A 301;GLY A 247;ALA A  23;PHE A 315","PAV A 400 (-2.8A);None;None;None;None","1.21A","4xe5A-3ejwA:3.2","2x2nC-4pz0A:19.71"],["4ZJL_A_ERYA1101_0","MULTIDRUG EFFLUX PUMP SUBUNIT ACRB","3t95","AUTOINDUCER 2-BINDING PROTEIN LSRB","Yersinia pestis",5,"SER A  90;MET A 142;MET A 138;LEU A 323;GLY A  44","PAV A 400 ( 4.5A);None;None;None;None","1.39A","4zjlA-3t95A:1.6","4xe5A-3ejwA:15.58"],["5TUD_D_ERMD1201_1","5-HYDROXYTRYPTAMINE RECEPTOR 2B,SOLUBLE CYTOCHROME B562 CHIMERA","4pz0","SUGAR ABC TRANSPORTER, SUGAR-BINDING PROTEIN","Bacillus anthracis",5,"SER A  97;VAL A 330;VAL A 335;GLN A 141;LEU A 142","PAV A 401 ( 4.5A);EDO A 407 ( 4.8A);None;EDO A 407 ( 3.6A);None","1.24A","5tudD-4pz0A:undetectable","4zjlA-3t95A:16.11"]]