SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ilt'

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.	1S9A_A_BEZA306_0 (CHLOROCATECHOL 1,2-DIOXYGENASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	6 / 11	GLY A 85 PRO A 86 TYR A 138 ARG A 170 HIS A 173 HIS A 175	None None FE A 301 (-3.9A) FE A 301 ( 4.8A) FE A 301 (-3.1A) FE A 301 (-3.2A)	0.51A	1s9aA-4iltA: 20.1	1s9aA-4iltA: 22.96
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.	1S9A_B_BEZB307_0 (CHLOROCATECHOL 1,2-DIOXYGENASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	7 / 12	GLY A 85 PRO A 86 TYR A 138 ARG A 170 HIS A 173 HIS A 175 GLN A 189	None None FE A 301 (-3.9A) FE A 301 ( 4.8A) FE A 301 (-3.1A) FE A 301 (-3.2A) None	0.50A	1s9aB-4iltA: 22.4	1s9aB-4iltA: 22.96
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.	1TMX_A_BEZA881_0 (HYDROXYQUINOL 1,2-DIOXYGENASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	6 / 11	GLY A 85 PRO A 86 TYR A 138 ARG A 170 HIS A 173 HIS A 175	None None FE A 301 (-3.9A) FE A 301 ( 4.8A) FE A 301 (-3.1A) FE A 301 (-3.2A)	0.53A	1tmxA-4iltA: 19.1	1tmxA-4iltA: 23.97
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.	1TMX_B_BEZB882_0 (HYDROXYQUINOL 1,2-DIOXYGENASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	6 / 12	GLY A 85 PRO A 86 TYR A 138 ARG A 170 HIS A 173 HIS A 175	None None FE A 301 (-3.9A) FE A 301 ( 4.8A) FE A 301 (-3.1A) FE A 301 (-3.2A)	0.37A	1tmxB-4iltA: 20.2	1tmxB-4iltA: 23.97
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.	3HGI_A_BEZA284_0 (CATECHOL 1,2-DIOXYGENASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	7 / 12	GLY A 85 PRO A 86 TYR A 87 TYR A 138 ARG A 170 HIS A 173 HIS A 175	None None None FE A 301 (-3.9A) FE A 301 ( 4.8A) FE A 301 (-3.1A) FE A 301 (-3.2A)	0.53A	3hgiA-4iltA: 21.1	3hgiA-4iltA: 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.	3UZZ_B_ASDB501_1 (3-OXO-5-BETA-STEROID 4-DEHYDROGENASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	4 / 8	TYR A 167 TYR A 138 HIS A 175 LEU A 203	None FE A 301 (-3.9A) FE A 301 (-3.2A) None	1.02A	3uzzB-4iltA: undetectable	3uzzB-4iltA: 17.84
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.	4JTR_A_IBPA401_1 (ALDO-KETO REDUCTASE FAMILY 1 MEMBER C2)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	4 / 8	TYR A 167 TYR A 138 HIS A 175 LEU A 203	None FE A 301 (-3.9A) FE A 301 (-3.2A) None	1.10A	4jtrA-4iltA: undetectable	4jtrA-4iltA: 18.96
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.	5ESK_A_1YNA701_2 (LANOSTEROL 14-ALPHA DEMETHYLASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	4 / 4	ALA A 137 PRO A 86 LEU A 203 HIS A 173	None None None FE A 301 (-3.1A)	1.18A	5eskA-4iltA: undetectable	5eskA-4iltA: 13.82
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.	5M0O_A_EPAA502_1 (TERMINAL OLEFIN-FORMING FATTY ACID DECARBOXYLASE)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	5 / 10	PRO A 164 LEU A 98 PHE A 129 ARG A 95 PRO A 93	None	1.07A	5m0oA-4iltA: undetectable	5m0oA-4iltA: 17.33
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.	5O96_G_SAMG501_0 (RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	5 / 11	LEU A 159 GLY A 221 SER A 97 LEU A 98 ARG A 172	None	0.89A	5o96G-4iltA: undetectable	5o96G-4iltA: 19.50
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.	5O96_H_SAMH501_0 (RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E)	4ilt	INTRADIOL RING-CLEAVAGE DIOXYGENASE (Streptomyces sp. SirexAA-E)	5 / 10	ARG A 219 LEU A 159 GLY A 221 LEU A 98 VAL A 163	None	1.07A	5o96G-4iltA: undetectable 5o96H-4iltA: undetectable	5o96G-4iltA: 19.50 5o96H-4iltA: 19.50

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1S9A_A_BEZA306_0","CHLOROCATECHOL 1,2-DIOXYGENASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",6,"GLY A  85;PRO A  86;TYR A 138;ARG A 170;HIS A 173;HIS A 175","None;None; FE A 301 (-3.9A); FE A 301 ( 4.8A); FE A 301 (-3.1A); FE A 301 (-3.2A)","0.51A","1s9aA-4iltA:20.1","1s9aA-4iltA:22.96"],["1S9A_B_BEZB307_0","CHLOROCATECHOL 1,2-DIOXYGENASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",7,"GLY A  85;PRO A  86;TYR A 138;ARG A 170;HIS A 173;HIS A 175;GLN A 189","None;None; FE A 301 (-3.9A); FE A 301 ( 4.8A); FE A 301 (-3.1A); FE A 301 (-3.2A);None","0.50A","1s9aB-4iltA:22.4","1s9aB-4iltA:22.96"],["1TMX_A_BEZA881_0","HYDROXYQUINOL 1,2-DIOXYGENASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",6,"GLY A  85;PRO A  86;TYR A 138;ARG A 170;HIS A 173;HIS A 175","None;None; FE A 301 (-3.9A); FE A 301 ( 4.8A); FE A 301 (-3.1A); FE A 301 (-3.2A)","0.53A","1tmxA-4iltA:19.1","1tmxA-4iltA:23.97"],["1TMX_B_BEZB882_0","HYDROXYQUINOL 1,2-DIOXYGENASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",6,"GLY A  85;PRO A  86;TYR A 138;ARG A 170;HIS A 173;HIS A 175","None;None; FE A 301 (-3.9A); FE A 301 ( 4.8A); FE A 301 (-3.1A); FE A 301 (-3.2A)","0.37A","1tmxB-4iltA:20.2","1tmxB-4iltA:23.97"],["3HGI_A_BEZA284_0","CATECHOL 1,2-DIOXYGENASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",7,"GLY A  85;PRO A  86;TYR A  87;TYR A 138;ARG A 170;HIS A 173;HIS A 175","None;None;None; FE A 301 (-3.9A); FE A 301 ( 4.8A); FE A 301 (-3.1A); FE A 301 (-3.2A)","0.53A","3hgiA-4iltA:21.1","3hgiA-4iltA:21.28"],["3UZZ_B_ASDB501_1","3-OXO-5-BETA-STEROID 4-DEHYDROGENASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",4,"TYR A 167;TYR A 138;HIS A 175;LEU A 203","None; FE A 301 (-3.9A); FE A 301 (-3.2A);None","1.02A","3uzzB-4iltA:undetectable","3uzzB-4iltA:17.84"],["4JTR_A_IBPA401_1","ALDO-KETO REDUCTASE FAMILY 1 MEMBER C2","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",4,"TYR A 167;TYR A 138;HIS A 175;LEU A 203","None; FE A 301 (-3.9A); FE A 301 (-3.2A);None","1.10A","4jtrA-4iltA:undetectable","4jtrA-4iltA:18.96"],["5ESK_A_1YNA701_2","LANOSTEROL 14-ALPHA DEMETHYLASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",4,"ALA A 137;PRO A  86;LEU A 203;HIS A 173","None;None;None; FE A 301 (-3.1A)","1.18A","5eskA-4iltA:undetectable","5eskA-4iltA:13.82"],["5M0O_A_EPAA502_1","TERMINAL OLEFIN-FORMING FATTY ACID DECARBOXYLASE","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",5,"PRO A 164;LEU A  98;PHE A 129;ARG A  95;PRO A  93","None","1.07A","5m0oA-4iltA:undetectable","5m0oA-4iltA:17.33"],["5O96_G_SAMG501_0","RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",5,"LEU A 159;GLY A 221;SER A  97;LEU A  98;ARG A 172","None","0.89A","5o96G-4iltA:undetectable","5o96G-4iltA:19.50"],["5O96_H_SAMH501_0","RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE E","4ilt","INTRADIOL RING-CLEAVAGE DIOXYGENASE","Streptomyces sp. SirexAA-E",5,"ARG A 219;LEU A 159;GLY A 221;LEU A  98;VAL A 163","None","1.07A","5o96G-4iltA:undetectable;5o96H-4iltA:undetectable","5o96G-4iltA:19.50;5o96H-4iltA:19.50"]]