SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PH2'

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.	1IOL_A_ESTA400_1 (ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE)	2dhn	7,8-DIHYDRONEOPTERIN ALDOLASE (Staphylococcus aureus)	5 / 11	VAL A 112 GLY A 113 LEU A 73 GLY A 111 GLU A 22	None None PH2 A 122 (-3.8A) None PH2 A 122 (-2.8A)	1.03A	1iolA-2dhnA: undetectable	1iolA-2dhnA: 17.19
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.	2JFA_B_CCSB417_0 (ESTROGEN RECEPTOR)	1nbu	PROBABLE DIHYDRONEOPTERIN ALDOLASE (Mycobacterium tuberculosis)	3 / 3	GLN B 101 LYS B 99 VAL B 30	None PH2 B 320 (-3.1A) None	0.80A	2jfaB-1nbuB: 0.0	2jfaB-1nbuB: 17.32
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.	3LBD_A_9CRA424_1 (RETINOIC ACID RECEPTOR GAMMA)	2dhn	7,8-DIHYDRONEOPTERIN ALDOLASE (Staphylococcus aureus)	5 / 12	LEU A 73 LEU A 76 ILE A 80 SER A 63 GLY A 113	PH2 A 122 (-3.8A) None None None None	1.26A	3lbdA-2dhnA: undetectable	3lbdA-2dhnA: 17.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4M5M_A_DX4A401_0 (2-AMINO-4-HYDROXY-6- HYDROXYMETHYLDIHYDRO PTERIDINE PYROPHOSPHOKINASE)	1ru1	2-AMINO-4-HYDROXY-6- HYDROXYMETHYLDIHYDRO PTERIDINE PYROPHOSPHOKINASE (Escherichia coli)	5 / 8	GLY A 8 THR A 42 TYR A 53 ASN A 55 PHE A 123	PH2 A 181 ( 3.9A) PH2 A 181 (-3.4A) PH2 A 181 (-3.6A) PH2 A 181 (-2.9A) PH2 A 181 (-3.5A)	0.43A	4m5mA-1ru1A: 25.5	4m5mA-1ru1A: 95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4M5M_A_DX4A401_0 (2-AMINO-4-HYDROXY-6- HYDROXYMETHYLDIHYDRO PTERIDINE PYROPHOSPHOKINASE)	2qx0	7,8-DIHYDRO-6-HYDROX YMETHYLPTERIN-PYROPH OSPHOKINASE (Yersinia pestis)	4 / 8	GLY A 9 THR A 43 ASN A 56 PHE A 124	PH2 A 181 ( 4.3A) PH2 A 181 (-3.8A) PH2 A 181 (-2.9A) PH2 A 181 (-3.4A)	0.28A	4m5mA-2qx0A: 26.3	4m5mA-2qx0A: 62.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4M5M_A_DX4A401_0 (2-AMINO-4-HYDROXY-6- HYDROXYMETHYLDIHYDRO PTERIDINE PYROPHOSPHOKINASE)	2qx0	7,8-DIHYDRO-6-HYDROX YMETHYLPTERIN-PYROPH OSPHOKINASE (Yersinia pestis)	4 / 8	GLY A 9 THR A 43 LEU A 46 PHE A 124	PH2 A 181 ( 4.3A) PH2 A 181 (-3.8A) PH2 A 181 (-3.7A) PH2 A 181 (-3.4A)	0.74A	4m5mA-2qx0A: 26.3	4m5mA-2qx0A: 62.26

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1IOL_A_ESTA400_1","ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE","2dhn","7,8-DIHYDRONEOPTERIN ALDOLASE","Staphylococcus aureus",5,"VAL A 112;GLY A 113;LEU A  73;GLY A 111;GLU A  22","None;None;PH2 A 122 (-3.8A);None;PH2 A 122 (-2.8A)","1.03A","1iolA-2dhnA:undetectable",null],["2JFA_B_CCSB417_0","ESTROGEN RECEPTOR","1nbu","PROBABLE DIHYDRONEOPTERIN ALDOLASE","Mycobacterium tuberculosis",3,"GLN B 101;LYS B  99;VAL B  30","None;PH2 B 320 (-3.1A);None","0.80A","2jfaB-1nbuB:0.0","1iolA-2dhnA:17.19"],["3LBD_A_9CRA424_1","RETINOIC ACID RECEPTOR GAMMA","2dhn","7,8-DIHYDRONEOPTERIN ALDOLASE","Staphylococcus aureus",5,"LEU A  73;LEU A  76;ILE A  80;SER A  63;GLY A 113","PH2 A 122 (-3.8A);None;None;None;None","1.26A","3lbdA-2dhnA:undetectable","2jfaB-1nbuB:17.32"],["4M5M_A_DX4A401_0","2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE","1ru1","2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE","Escherichia coli",5,"GLY A   8;THR A  42;TYR A  53;ASN A  55;PHE A 123","PH2 A 181 ( 3.9A);PH2 A 181 (-3.4A);PH2 A 181 (-3.6A);PH2 A 181 (-2.9A);PH2 A 181 (-3.5A)","0.43A","4m5mA-1ru1A:25.5","3lbdA-2dhnA:17.10"],["4M5M_A_DX4A401_0","2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE","2qx0","7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE","Yersinia pestis",4,"GLY A   9;THR A  43;ASN A  56;PHE A 124","PH2 A 181 ( 4.3A);PH2 A 181 (-3.8A);PH2 A 181 (-2.9A);PH2 A 181 (-3.4A)","0.28A","4m5mA-2qx0A:26.3","4m5mA-1ru1A:95.57"],["4M5M_A_DX4A401_0","2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE","2qx0","7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE","Yersinia pestis",4,"GLY A   9;THR A  43;LEU A  46;PHE A 124","PH2 A 181 ( 4.3A);PH2 A 181 (-3.8A);PH2 A 181 (-3.7A);PH2 A 181 (-3.4A)","0.74A","4m5mA-2qx0A:26.3","4m5mA-2qx0A:62.26"]]