SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1tiq'

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.	2HS1_B_017B203_1 (HIV-1 PROTEASE)	1tiq	PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1 (Bacillus subtilis)	4 / 7	GLU A 160 PRO A 34 MET A 37 GLY A 158	None None DTT A1201 (-4.3A) DTT A1201 (-3.7A)	1.16A	2hs1B-1tiqA: undetectable	2hs1B-1tiqA: 19.65
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.	4V1F_B_BQ1B1087_0 (F0F1 ATP SYNTHASE SUBUNIT C)	1tiq	PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1 (Bacillus subtilis)	5 / 8	ALA A 140 ALA A 138 ILE A 139 ALA A 168 LEU A 165	COA A 301 (-3.2A) COA A 301 ( 3.7A) None None None	1.30A	4v1fA-1tiqA: undetectable 4v1fB-1tiqA: undetectable	4v1fA-1tiqA: 16.09 4v1fB-1tiqA: 16.09
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.	5MVM_B_PFLB510_1 (PROTON-GATED ION CHANNEL)	1tiq	PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1 (Bacillus subtilis)	4 / 6	ILE A 116 ALA A 119 LEU A 120 ILE A 172	None	0.86A	5mvmB-1tiqA: undetectable 5mvmC-1tiqA: undetectable	5mvmB-1tiqA: 19.21 5mvmC-1tiqA: 19.21
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.	5UUN_B_ACTB308_0 (GLUTATHIONE S-TRANSFERASE-LIKE PROTEIN)	1tiq	PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1 (Bacillus subtilis)	3 / 3	LEU A 41 ILE A 21 TYR A 73	None	0.69A	5uunB-1tiqA: undetectable	5uunB-1tiqA: 19.10

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2HS1_B_017B203_1","HIV-1 PROTEASE","1tiq","PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1","Bacillus subtilis",4,"GLU A 160;PRO A  34;MET A  37;GLY A 158","None;None;DTT A1201 (-4.3A);DTT A1201 (-3.7A)","1.16A","2hs1B-1tiqA:undetectable","2hs1B-1tiqA:19.65"],["4V1F_B_BQ1B1087_0","F0F1 ATP SYNTHASE SUBUNIT C","1tiq","PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1","Bacillus subtilis",5,"ALA A 140;ALA A 138;ILE A 139;ALA A 168;LEU A 165","COA A 301 (-3.2A);COA A 301 ( 3.7A);None;None;None","1.30A","4v1fA-1tiqA:undetectable;4v1fB-1tiqA:undetectable","4v1fA-1tiqA:16.09;4v1fB-1tiqA:16.09"],["5MVM_B_PFLB510_1","PROTON-GATED ION CHANNEL;PROTON-GATED ION CHANNEL","1tiq","PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1","Bacillus subtilis",4,"ILE A 116;ALA A 119;LEU A 120;ILE A 172","None","0.86A","5mvmB-1tiqA:undetectable;5mvmC-1tiqA:undetectable","5mvmB-1tiqA:19.21;5mvmC-1tiqA:19.21"],["5UUN_B_ACTB308_0","GLUTATHIONE S-TRANSFERASE-LIKE PROTEIN","1tiq","PROTEASE SYNTHASE AND SPORULATION NEGATIVE REGULATORY PROTEIN PAI 1","Bacillus subtilis",3,"LEU A  41;ILE A  21;TYR A  73","None","0.69A","5uunB-1tiqA:undetectable","5uunB-1tiqA:19.10"]]