SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DGG'

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)

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	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.	2W98_A_P1ZA1351_1 (PROSTAGLANDIN REDUCTASE 2)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	5 / 10	TYR B 64 ILE B 68 LEU B 129 VAL B 132 LEU B 78	DGG B 406 ( 4.5A) None HEM B 404 ( 4.3A) None None	1.34A	2w98A-3ozvB: undetectable	2w98A-3ozvB: 22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3OZU_A_X89A411_1 (FLAVOHEMOPROTEIN)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	11 / 12	ILE B 25 PHE B 28 TYR B 29 ALA B 56 LEU B 57 VAL B 61 HIS B 85 TRP B 122 ALA B 125 TYR B 126 LEU B 129	ECN B 411 (-4.5A) ECN B 411 (-4.0A) None ECN B 411 (-3.5A) ECN B 411 (-4.1A) DGG B 406 ( 4.8A) HEM B 404 (-3.3A) None DGG B 406 ( 3.8A) HEM B 404 ( 3.9A) HEM B 404 ( 4.3A)	0.31A	3ozuA-3ozvB: 46.1	3ozuA-3ozvB: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3OZU_A_X89A411_1 (FLAVOHEMOPROTEIN)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	11 / 12	PHE B 28 TYR B 29 ALA B 56 LEU B 57 VAL B 61 HIS B 85 LEU B 102 TRP B 122 ALA B 125 TYR B 126 LEU B 129	ECN B 411 (-4.0A) None ECN B 411 (-3.5A) ECN B 411 (-4.1A) DGG B 406 ( 4.8A) HEM B 404 (-3.3A) ECN B 411 (-3.2A) None DGG B 406 ( 3.8A) HEM B 404 ( 3.9A) HEM B 404 ( 4.3A)	0.24A	3ozuA-3ozvB: 46.1	3ozuA-3ozvB: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4G1B_B_ECNB403_1 (FLAVOHEMOGLOBIN)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	5 / 11	ILE B 24 PHE B 28 TYR B 29 LEU B 57 VAL B 61	ECN B 411 (-3.5A) ECN B 411 (-4.0A) None ECN B 411 (-4.1A) DGG B 406 ( 4.8A)	0.93A	4g1bB-3ozvB: 46.3	4g1bB-3ozvB: 37.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4G1B_C_ECNC403_1 (FLAVOHEMOGLOBIN)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	5 / 9	ILE B 24 PHE B 28 TYR B 29 GLN B 53 VAL B 61	ECN B 411 (-3.5A) ECN B 411 (-4.0A) None HEM B 404 (-3.9A) DGG B 406 ( 4.8A)	1.00A	4g1bC-3ozvB: 45.3	4g1bC-3ozvB: 37.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4G1B_C_ECNC403_1 (FLAVOHEMOGLOBIN)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	5 / 9	ILE B 24 TYR B 29 GLN B 53 LEU B 57 VAL B 61	ECN B 411 (-3.5A) None HEM B 404 (-3.9A) ECN B 411 (-4.1A) DGG B 406 ( 4.8A)	1.21A	4g1bC-3ozvB: 45.3	4g1bC-3ozvB: 37.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4G1B_D_ECND403_1 (FLAVOHEMOGLOBIN)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	6 / 12	ILE B 24 PHE B 28 TYR B 29 PHE B 43 LEU B 57 VAL B 61	ECN B 411 (-3.5A) ECN B 411 (-4.0A) None HEM B 404 ( 3.8A) ECN B 411 (-4.1A) DGG B 406 ( 4.8A)	0.90A	4g1bD-3ozvB: 46.8	4g1bD-3ozvB: 37.95
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.	6FOS_B_PQNB2002_1 (PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A2)	3ozv	FLAVOHEMOGLOBIN (Cupriavidus necator)	4 / 6	MET B 1 ALA B 130 LEU B 129 ALA B 125	None HEM B 404 (-4.4A) HEM B 404 ( 4.3A) DGG B 406 ( 3.8A)	1.18A	6fosB-3ozvB: undetectable	6fosB-3ozvB: 13.03

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2W98_A_P1ZA1351_1","PROSTAGLANDIN REDUCTASE 2","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",5,"TYR B  64;ILE B  68;LEU B 129;VAL B 132;LEU B  78","DGG B 406 ( 4.5A);None;HEM B 404 ( 4.3A);None;None","1.34A","2w98A-3ozvB:undetectable",null],["3OZU_A_X89A411_1","FLAVOHEMOPROTEIN","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",11,"ILE B  25;PHE B  28;TYR B  29;ALA B  56;LEU B  57;VAL B  61;HIS B  85;TRP B 122;ALA B 125;TYR B 126;LEU B 129","ECN B 411 (-4.5A);ECN B 411 (-4.0A);None;ECN B 411 (-3.5A);ECN B 411 (-4.1A);DGG B 406 ( 4.8A);HEM B 404 (-3.3A);None;DGG B 406 ( 3.8A);HEM B 404 ( 3.9A);HEM B 404 ( 4.3A)","0.31A","3ozuA-3ozvB:46.1","2w98A-3ozvB:22.84"],["3OZU_A_X89A411_1","FLAVOHEMOPROTEIN","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",11,"PHE B  28;TYR B  29;ALA B  56;LEU B  57;VAL B  61;HIS B  85;LEU B 102;TRP B 122;ALA B 125;TYR B 126;LEU B 129","ECN B 411 (-4.0A);None;ECN B 411 (-3.5A);ECN B 411 (-4.1A);DGG B 406 ( 4.8A);HEM B 404 (-3.3A);ECN B 411 (-3.2A);None;DGG B 406 ( 3.8A);HEM B 404 ( 3.9A);HEM B 404 ( 4.3A)","0.24A","3ozuA-3ozvB:46.1","3ozuA-3ozvB:100.00"],["4G1B_B_ECNB403_1","FLAVOHEMOGLOBIN","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",5,"ILE B  24;PHE B  28;TYR B  29;LEU B  57;VAL B  61","ECN B 411 (-3.5A);ECN B 411 (-4.0A);None;ECN B 411 (-4.1A);DGG B 406 ( 4.8A)","0.93A","4g1bB-3ozvB:46.3","3ozuA-3ozvB:100.00"],["4G1B_C_ECNC403_1","FLAVOHEMOGLOBIN","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",5,"ILE B  24;PHE B  28;TYR B  29;GLN B  53;VAL B  61","ECN B 411 (-3.5A);ECN B 411 (-4.0A);None;HEM B 404 (-3.9A);DGG B 406 ( 4.8A)","1.00A","4g1bC-3ozvB:45.3","4g1bB-3ozvB:37.95"],["4G1B_C_ECNC403_1","FLAVOHEMOGLOBIN","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",5,"ILE B  24;TYR B  29;GLN B  53;LEU B  57;VAL B  61","ECN B 411 (-3.5A);None;HEM B 404 (-3.9A);ECN B 411 (-4.1A);DGG B 406 ( 4.8A)","1.21A","4g1bC-3ozvB:45.3","4g1bC-3ozvB:37.95"],["4G1B_D_ECND403_1","FLAVOHEMOGLOBIN","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",6,"ILE B  24;PHE B  28;TYR B  29;PHE B  43;LEU B  57;VAL B  61","ECN B 411 (-3.5A);ECN B 411 (-4.0A);None;HEM B 404 ( 3.8A);ECN B 411 (-4.1A);DGG B 406 ( 4.8A)","0.90A","4g1bD-3ozvB:46.8","4g1bC-3ozvB:37.95"],["6FOS_B_PQNB2002_1","PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A2","3ozv","FLAVOHEMOGLOBIN","Cupriavidus necator",4,"MET B   1;ALA B 130;LEU B 129;ALA B 125","None;HEM B 404 (-4.4A);HEM B 404 ( 4.3A);DGG B 406 ( 3.8A)","1.18A","6fosB-3ozvB:undetectable","4g1bD-3ozvB:37.95"]]