SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2HE'

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.	2BL9_A_CP6A1240_1 (DIHYDROFOLATE REDUCTASE-THYMIDYLAT E SYNTHASE)	6b9r	HYDROXYETHYLPHOSPHON ATE DIOXYGENASE (Streptomyces albus)	5 / 12	ALA A 205 SER A 94 SER A 97 TYR A 366 THR A 155	2HE A 502 ( 4.3A) None None None None	1.16A	2bl9A-6b9rA: undetectable	2bl9A-6b9rA: 14.71
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.	2BNN_A_FCNA1199_1 (EPOXIDASE)	3gbf	PHPD (Streptomyces viridochromogene s)	5 / 9	ARG A 90 TYR A 98 ASN A 126 HIS A 129 HIS A 182	2HE A 550 (-3.8A) 2HE A 550 (-4.4A) 2HE A 550 (-3.8A) CD A 513 ( 3.5A) CD A 513 ( 3.5A)	0.78A	2bnnA-3gbfA: 12.4 2bnnB-3gbfA: 11.1	2bnnA-3gbfA: 18.59 2bnnB-3gbfA: 18.59
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.	2BNN_A_FCNA1199_1 (EPOXIDASE)	6b9r	HYDROXYETHYLPHOSPHON ATE DIOXYGENASE (Streptomyces albus)	6 / 9	ARG A 103 TYR A 111 ASN A 146 HIS A 149 HIS A 190 ALA A 205	2HE A 502 (-3.1A) 2HE A 502 (-4.4A) 2HE A 502 (-3.7A) FE A 501 ( 3.4A) FE A 501 ( 3.3A) 2HE A 502 ( 4.3A)	0.47A	2bnnA-6b9rA: 14.0 2bnnB-6b9rA: 13.4	2bnnA-6b9rA: 17.91 2bnnB-6b9rA: 17.91
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.	2BNN_B_FCNB1199_1 (EPOXIDASE)	6b9r	HYDROXYETHYLPHOSPHON ATE DIOXYGENASE (Streptomyces albus)	5 / 8	TYR A 111 ASN A 146 HIS A 149 HIS A 190 ALA A 205	2HE A 502 (-4.4A) 2HE A 502 (-3.7A) FE A 501 ( 3.4A) FE A 501 ( 3.3A) 2HE A 502 ( 4.3A)	0.51A	2bnnA-6b9rA: 14.0 2bnnB-6b9rA: 13.4	2bnnA-6b9rA: 17.91 2bnnB-6b9rA: 17.91
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.	4A7B_B_HAEB1270_1 (COLLAGENASE 3)	3gbf	PHPD (Streptomyces viridochromogene s)	4 / 5	LEU A 113 HIS A 182 GLU A 176 HIS A 129	None CD A 513 ( 3.5A) 2HE A 550 ( 2.5A) CD A 513 ( 3.5A)	1.22A	4a7bB-3gbfA: undetectable	4a7bB-3gbfA: 16.22

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2BL9_A_CP6A1240_1","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","6b9r","HYDROXYETHYLPHOSPHONATE DIOXYGENASE","Streptomyces albus",5,"ALA A 205;SER A  94;SER A  97;TYR A 366;THR A 155","2HE A 502 ( 4.3A);None;None;None;None","1.16A","2bl9A-6b9rA:undetectable",null],["2BNN_A_FCNA1199_1","EPOXIDASE;EPOXIDASE","3gbf","PHPD","Streptomyces viridochromogenes",5,"ARG A  90;TYR A  98;ASN A 126;HIS A 129;HIS A 182","2HE A 550 (-3.8A);2HE A 550 (-4.4A);2HE A 550 (-3.8A); CD A 513 ( 3.5A); CD A 513 ( 3.5A)","0.78A","2bnnA-3gbfA:12.4;2bnnB-3gbfA:11.1","2bl9A-6b9rA:14.71"],["2BNN_A_FCNA1199_1","EPOXIDASE;EPOXIDASE","6b9r","HYDROXYETHYLPHOSPHONATE DIOXYGENASE","Streptomyces albus",6,"ARG A 103;TYR A 111;ASN A 146;HIS A 149;HIS A 190;ALA A 205","2HE A 502 (-3.1A);2HE A 502 (-4.4A);2HE A 502 (-3.7A); FE A 501 ( 3.4A); FE A 501 ( 3.3A);2HE A 502 ( 4.3A)","0.47A","2bnnA-6b9rA:14.0;2bnnB-6b9rA:13.4","2bnnA-3gbfA:18.59;2bnnB-3gbfA:18.59"],["2BNN_B_FCNB1199_1","EPOXIDASE;EPOXIDASE","6b9r","HYDROXYETHYLPHOSPHONATE DIOXYGENASE","Streptomyces albus",5,"TYR A 111;ASN A 146;HIS A 149;HIS A 190;ALA A 205","2HE A 502 (-4.4A);2HE A 502 (-3.7A); FE A 501 ( 3.4A); FE A 501 ( 3.3A);2HE A 502 ( 4.3A)","0.51A","2bnnA-6b9rA:14.0;2bnnB-6b9rA:13.4","2bnnA-6b9rA:17.91;2bnnB-6b9rA:17.91"],["4A7B_B_HAEB1270_1","COLLAGENASE 3","3gbf","PHPD","Streptomyces viridochromogenes",4,"LEU A 113;HIS A 182;GLU A 176;HIS A 129","None; CD A 513 ( 3.5A);2HE A 550 ( 2.5A); CD A 513 ( 3.5A)","1.22A","4a7bB-3gbfA:undetectable","2bnnA-6b9rA:17.91;2bnnB-6b9rA:17.91"]]