SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dl0'

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 (%)	View	Dock
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.	1HXB_A_ROCA100_4 (HIV-1 PROTEASE)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	4 / 4	GLY A 32 ASP A 84 GLY A 7 THR A 89	AP5 A 218 (-3.5A) MG A 220 ( 4.3A) None None	0.95A	1hxbB-3dl0A: undetectable	1hxbB-3dl0A: 17.76
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.	1OXR_A_AINA141_1 (PHOSPHOLIPASE A2 ISOFORM 3)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	4 / 4	LEU A 157 GLY A 134 ASP A 153 TYR A 137	None None ZN A 219 (-2.4A) None	1.45A	1oxrA-3dl0A: undetectable	1oxrA-3dl0A: 20.37
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.	1YAJ_F_BEZF5023_0 (CES1 PROTEIN)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	4 / 6	LEU A 82 GLY A 17 LEU A 208 ILE A 113	None	0.96A	1yajF-3dl0A: undetectable	1yajF-3dl0A: 17.20
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.	2OCU_A_TYLA3001_1 (LACTOTRANSFERRIN)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	3 / 3	LEU A 182 TYR A 186 GLY A 190	None	0.65A	2ocuA-3dl0A: undetectable	2ocuA-3dl0A: 19.43
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.	2Q58_A_ZOLA1_1 (FARNESYL PYROPHOSPHATE SYNTHASE)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	5 / 10	LEU A 124 ASP A 163 ASP A 162 THR A 136 ASP A 33	AP5 A 218 (-4.9A) None None AP5 A 218 ( 4.5A) MG A 220 ( 4.9A)	1.35A	2q58A-3dl0A: undetectable	2q58A-3dl0A: 18.89
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.	3K4V_D_ROCD201_2 (HIV-1 PROTEASE)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	4 / 4	GLY A 32 ASP A 84 GLY A 7 THR A 89	AP5 A 218 (-3.5A) MG A 220 ( 4.3A) None None	0.96A	3k4vC-3dl0A: undetectable	3k4vC-3dl0A: 21.28
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.	5X19_P_CHDP305_0 (CYTOCHROME C OXIDASE SUBUNIT 3)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	4 / 6	LYS A 69 LEU A 72 PHE A 81 LEU A 83	None	1.12A	5x19P-3dl0A: undetectable	5x19P-3dl0A: 20.37
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.	6BRD_B_RFPB502_1 (RIFAMPIN MONOOXYGENASE)	3dl0	ADENYLATE KINASE (Bacillus subtilis)	5 / 12	HIS A 28 VAL A 115 THR A 15 GLY A 14 GLY A 17	None None AP5 A 218 (-3.6A) AP5 A 218 (-3.7A) None	1.19A	6brdB-3dl0A: undetectable	6brdB-3dl0A: 18.10

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1HXB_A_ROCA100_4","HIV-1 PROTEASE;HIV-1 PROTEASE","3dl0","ADENYLATE KINASE","Bacillus subtilis",4,"GLY A  32;ASP A  84;GLY A   7;THR A  89","AP5 A 218 (-3.5A); MG A 220 ( 4.3A);None;None","0.95A","1hxbB-3dl0A:undetectable","1hxbB-3dl0A:17.76"],["1OXR_A_AINA141_1","PHOSPHOLIPASE A2 ISOFORM 3","3dl0","ADENYLATE KINASE","Bacillus subtilis",4,"LEU A 157;GLY A 134;ASP A 153;TYR A 137","None;None; ZN A 219 (-2.4A);None","1.45A","1oxrA-3dl0A:undetectable","1oxrA-3dl0A:20.37"],["1YAJ_F_BEZF5023_0","CES1 PROTEIN","3dl0","ADENYLATE KINASE","Bacillus subtilis",4,"LEU A  82;GLY A  17;LEU A 208;ILE A 113","None","0.96A","1yajF-3dl0A:undetectable","1yajF-3dl0A:17.20"],["2OCU_A_TYLA3001_1","LACTOTRANSFERRIN","3dl0","ADENYLATE KINASE","Bacillus subtilis",3,"LEU A 182;TYR A 186;GLY A 190","None","0.65A","2ocuA-3dl0A:undetectable","2ocuA-3dl0A:19.43"],["2Q58_A_ZOLA1_1","FARNESYL PYROPHOSPHATE SYNTHASE","3dl0","ADENYLATE KINASE","Bacillus subtilis",5,"LEU A 124;ASP A 163;ASP A 162;THR A 136;ASP A  33","AP5 A 218 (-4.9A);None;None;AP5 A 218 ( 4.5A); MG A 220 ( 4.9A)","1.35A","2q58A-3dl0A:undetectable","2q58A-3dl0A:18.89"],["3K4V_D_ROCD201_2","HIV-1 PROTEASE;HIV-1 PROTEASE","3dl0","ADENYLATE KINASE","Bacillus subtilis",4,"GLY A  32;ASP A  84;GLY A   7;THR A  89","AP5 A 218 (-3.5A); MG A 220 ( 4.3A);None;None","0.96A","3k4vC-3dl0A:undetectable","3k4vC-3dl0A:21.28"],["5X19_P_CHDP305_0","CYTOCHROME C OXIDASE SUBUNIT 3","3dl0","ADENYLATE KINASE","Bacillus subtilis",4,"LYS A  69;LEU A  72;PHE A  81;LEU A  83","None","1.12A","5x19P-3dl0A:undetectable","5x19P-3dl0A:20.37"],["6BRD_B_RFPB502_1","RIFAMPIN MONOOXYGENASE","3dl0","ADENYLATE KINASE","Bacillus subtilis",5,"HIS A  28;VAL A 115;THR A  15;GLY A  14;GLY A  17","None;None;AP5 A 218 (-3.6A);AP5 A 218 (-3.7A);None","1.19A","6brdB-3dl0A:undetectable","6brdB-3dl0A:18.10"]]