SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1jwq'

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.	1D4Y_A_TPVA501_2 (PROTEIN (HIV-1 PROTEASE))	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	4 / 8	LEU A 141 ILE A 40 VAL A 77 ILE A 79	None	0.69A	1d4yB-1jwqA: undetectable	1d4yB-1jwqA: 20.44
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.	2UXP_A_CLMA1211_0 (HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGR)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	5 / 8	ALA A 34 LEU A 141 ILE A 172 VAL A 139 ILE A 131	None	1.22A	2uxpA-1jwqA: undetectable	2uxpA-1jwqA: 21.36
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.	2VCV_F_ASDF1224_1 (GLUTATHIONE S-TRANSFERASE A3)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	4 / 8	PHE A 112 LEU A 146 LEU A 118 PHE A 160	None	0.90A	2vcvF-1jwqA: undetectable	2vcvF-1jwqA: 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.	2WX2_A_TPFA1460_1 (LANOSTEROL 14-ALPHA-DEMETHYLASE)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	4 / 7	ALA A 165 ALA A 169 THR A 173 LEU A 47	None	0.92A	2wx2A-1jwqA: undetectable	2wx2A-1jwqA: 17.16
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.	3KEC_A_HAEA272_1 (COLLAGENASE 3)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	4 / 5	LEU A 146 GLU A 142 HIS A 80 HIS A 10	None ZN A1001 ( 4.4A) ZN A1001 (-3.2A) ZN A1001 (-3.3A)	0.99A	3kecA-1jwqA: 3.3	3kecA-1jwqA: 24.12
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.	3L4D_A_TPFA490_1 (STEROL 14-ALPHA DEMETHYLASE)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	4 / 8	ALA A 165 ALA A 169 THR A 173 LEU A 47	None	0.84A	3l4dA-1jwqA: undetectable	3l4dA-1jwqA: 20.10
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.	4Y0Q_A_PX9A201_0 (BETA-LACTOGLOBULIN)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	5 / 12	VAL A 139 ILE A 168 LEU A 141 VAL A 49 LEU A 51	None	1.12A	4y0qA-1jwqA: undetectable	4y0qA-1jwqA: 21.55
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.	5ESG_A_1YNA701_1 (LANOSTEROL 14-ALPHA DEMETHYLASE)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	5 / 12	PHE A 104 VAL A 65 GLY A 171 THR A 173 LEU A 41	None	1.33A	5esgA-1jwqA: undetectable	5esgA-1jwqA: 15.31
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.	5J2T_C_VLBC503_2 (TUBULIN ALPHA-1B CHAIN)	1jwq	N-ACETYLMURAMOYL-L-A LANINE AMIDASE CWLV (Paenibacillus polymyxa)	6 / 12	LYS A 27 ASN A 30 ILE A 79 ALA A 34 VAL A 143 GLY A 144	None	1.46A	5j2tC-1jwqA: 4.1	5j2tC-1jwqA: 20.32

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1D4Y_A_TPVA501_2","PROTEIN (HIV-1 PROTEASE);PROTEIN (HIV-1 PROTEASE)","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",4,"LEU A 141;ILE A  40;VAL A  77;ILE A  79","None","0.69A","1d4yB-1jwqA:undetectable","1d4yB-1jwqA:20.44"],["2UXP_A_CLMA1211_0","HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGR","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",5,"ALA A  34;LEU A 141;ILE A 172;VAL A 139;ILE A 131","None","1.22A","2uxpA-1jwqA:undetectable","2uxpA-1jwqA:21.36"],["2VCV_F_ASDF1224_1","GLUTATHIONE S-TRANSFERASE A3","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",4,"PHE A 112;LEU A 146;LEU A 118;PHE A 160","None","0.90A","2vcvF-1jwqA:undetectable","2vcvF-1jwqA:20.96"],["2WX2_A_TPFA1460_1","LANOSTEROL 14-ALPHA-DEMETHYLASE","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",4,"ALA A 165;ALA A 169;THR A 173;LEU A  47","None","0.92A","2wx2A-1jwqA:undetectable","2wx2A-1jwqA:17.16"],["3KEC_A_HAEA272_1","COLLAGENASE 3","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",4,"LEU A 146;GLU A 142;HIS A  80;HIS A  10","None; ZN A1001 ( 4.4A); ZN A1001 (-3.2A); ZN A1001 (-3.3A)","0.99A","3kecA-1jwqA:3.3","3kecA-1jwqA:24.12"],["3L4D_A_TPFA490_1","STEROL 14-ALPHA DEMETHYLASE","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",4,"ALA A 165;ALA A 169;THR A 173;LEU A  47","None","0.84A","3l4dA-1jwqA:undetectable","3l4dA-1jwqA:20.10"],["4Y0Q_A_PX9A201_0","BETA-LACTOGLOBULIN","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",5,"VAL A 139;ILE A 168;LEU A 141;VAL A  49;LEU A  51","None","1.12A","4y0qA-1jwqA:undetectable","4y0qA-1jwqA:21.55"],["5ESG_A_1YNA701_1","LANOSTEROL 14-ALPHA DEMETHYLASE","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",5,"PHE A 104;VAL A  65;GLY A 171;THR A 173;LEU A  41","None","1.33A","5esgA-1jwqA:undetectable","5esgA-1jwqA:15.31"],["5J2T_C_VLBC503_2","TUBULIN ALPHA-1B CHAIN","1jwq","N-ACETYLMURAMOYL-L-ALANINE AMIDASE CWLV","Paenibacillus polymyxa",6,"LYS A  27;ASN A  30;ILE A  79;ALA A  34;VAL A 143;GLY A 144","None","1.46A","5j2tC-1jwqA:4.1","5j2tC-1jwqA:20.32"]]