SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IND'

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.	1V8B_B_ADNB1502_1 (ADENOSYLHOMOCYSTEINA SE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	THR A 322 THR A 217 ASP A 372 GLY A 363 PHE A 210	None IND A 503 ( 4.3A) FE A 502 (-2.1A) None IND A 503 ( 4.4A)	1.41A	1v8bB-2b24A: undetectable	1v8bB-2b24A: 20.08
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.	2AVD_B_SAMB601_0 (CATECHOL-O-METHYLTRA NSFERASE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	PHE A 210 ALA A 237 ASP A 213 ALA A 214 TYR A 419	IND A 503 ( 4.4A) None None IND A 503 ( 3.9A) None	1.41A	2avdB-2b24A: undetectable	2avdB-2b24A: 20.09
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.	4DVO_A_SORA404_0 (XYLOSE ISOMERASE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	THR A 220 ASN A 209 HIS A 295 ASP A 213 ASP A 418	None FE A 502 ( 4.3A) IND A 503 (-3.5A) None None	1.45A	4dvoA-2b24A: undetectable	4dvoA-2b24A: 22.89
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.	4K50_B_ACTB701_0 (RNA (33-MER) RNA POLYMERASE 3D-POL)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	3 / 3	HIS A 295 GLY A 240 ILE A 254	IND A 503 (-3.5A) None None	0.62A	4k50A-2b24A: undetectable	4k50A-2b24A: 21.06
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.	4PAE_A_NIZA804_1 (CATALASE-PEROXIDASE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	4 / 6	PHE A 236 ASP A 418 TYR A 419 HIS A 295	None None None IND A 503 (-3.5A)	1.12A	4paeA-2b24A: undetectable	4paeA-2b24A: 20.43
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.	5ESG_A_1YNA701_1 (LANOSTEROL 14-ALPHA DEMETHYLASE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	GLU A 421 PHE A 362 PHE A 210 GLY A 305 HIS A 242	None None IND A 503 ( 4.4A) None None	1.32A	5esgA-2b24A: undetectable	5esgA-2b24A: 21.84
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.	5M5K_B_ADNB502_1 (ADENOSYLHOMOCYSTEINA SE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	THR A 322 THR A 217 ASP A 372 GLY A 363 PHE A 210	None IND A 503 ( 4.3A) FE A 502 (-2.1A) None IND A 503 ( 4.4A)	1.16A	5m5kB-2b24A: undetectable	5m5kB-2b24A: 20.38
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.	5M66_A_ADNA502_1 (ADENOSYLHOMOCYSTEINA SE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	THR A 322 THR A 217 ASP A 372 GLY A 363 PHE A 210	None IND A 503 ( 4.3A) FE A 502 (-2.1A) None IND A 503 ( 4.4A)	1.31A	5m66A-2b24A: undetectable	5m66A-2b24A: 20.38
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.	5M66_C_ADNC502_1 (ADENOSYLHOMOCYSTEINA SE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	THR A 322 THR A 217 ASP A 372 GLY A 363 PHE A 210	None IND A 503 ( 4.3A) FE A 502 (-2.1A) None IND A 503 ( 4.4A)	1.29A	5m66C-2b24A: undetectable	5m66C-2b24A: 20.38
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.	5UTU_F_ADNF503_1 (ADENOSYLHOMOCYSTEINA SE)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	THR A 322 THR A 217 ASP A 372 GLY A 363 PHE A 210	None IND A 503 ( 4.3A) FE A 502 (-2.1A) None IND A 503 ( 4.4A)	1.28A	5utuF-2b24A: undetectable	5utuF-2b24A: 23.77
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.	6F3N_B_ADNB505_1 (-)	2b24	NAPHTHALENE DIOXYGENASE LARGE SUBUNIT (Rhodococcus sp. NCIMB 12038)	5 / 12	THR A 322 THR A 217 ASP A 372 GLY A 363 PHE A 210	None IND A 503 ( 4.3A) FE A 502 (-2.1A) None IND A 503 ( 4.4A)	1.29A	6f3nB-2b24A: undetectable	6f3nB-2b24A: 22.41

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1V8B_B_ADNB1502_1","ADENOSYLHOMOCYSTEINASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"THR A 322;THR A 217;ASP A 372;GLY A 363;PHE A 210","None;IND A 503 ( 4.3A); FE A 502 (-2.1A);None;IND A 503 ( 4.4A)","1.41A","1v8bB-2b24A:undetectable",null],["2AVD_B_SAMB601_0","CATECHOL-O-METHYLTRANSFERASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"PHE A 210;ALA A 237;ASP A 213;ALA A 214;TYR A 419","IND A 503 ( 4.4A);None;None;IND A 503 ( 3.9A);None","1.41A","2avdB-2b24A:undetectable","1v8bB-2b24A:20.08"],["4DVO_A_SORA404_0","XYLOSE ISOMERASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"THR A 220;ASN A 209;HIS A 295;ASP A 213;ASP A 418","None; FE A 502 ( 4.3A);IND A 503 (-3.5A);None;None","1.45A","4dvoA-2b24A:undetectable","2avdB-2b24A:20.09"],["4K50_B_ACTB701_0","RNA (33-MER);RNA POLYMERASE 3D-POL","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",3,"HIS A 295;GLY A 240;ILE A 254","IND A 503 (-3.5A);None;None","0.62A","4k50A-2b24A:undetectable","4dvoA-2b24A:22.89"],["4PAE_A_NIZA804_1","CATALASE-PEROXIDASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",4,"PHE A 236;ASP A 418;TYR A 419;HIS A 295","None;None;None;IND A 503 (-3.5A)","1.12A","4paeA-2b24A:undetectable","4k50A-2b24A:21.06"],["5ESG_A_1YNA701_1","LANOSTEROL 14-ALPHA DEMETHYLASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"GLU A 421;PHE A 362;PHE A 210;GLY A 305;HIS A 242","None;None;IND A 503 ( 4.4A);None;None","1.32A","5esgA-2b24A:undetectable","4paeA-2b24A:20.43"],["5M5K_B_ADNB502_1","ADENOSYLHOMOCYSTEINASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"THR A 322;THR A 217;ASP A 372;GLY A 363;PHE A 210","None;IND A 503 ( 4.3A); FE A 502 (-2.1A);None;IND A 503 ( 4.4A)","1.16A","5m5kB-2b24A:undetectable","5esgA-2b24A:21.84"],["5M66_A_ADNA502_1","ADENOSYLHOMOCYSTEINASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"THR A 322;THR A 217;ASP A 372;GLY A 363;PHE A 210","None;IND A 503 ( 4.3A); FE A 502 (-2.1A);None;IND A 503 ( 4.4A)","1.31A","5m66A-2b24A:undetectable","5m5kB-2b24A:20.38"],["5M66_C_ADNC502_1","ADENOSYLHOMOCYSTEINASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"THR A 322;THR A 217;ASP A 372;GLY A 363;PHE A 210","None;IND A 503 ( 4.3A); FE A 502 (-2.1A);None;IND A 503 ( 4.4A)","1.29A","5m66C-2b24A:undetectable","5m66A-2b24A:20.38"],["5UTU_F_ADNF503_1","ADENOSYLHOMOCYSTEINASE","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"THR A 322;THR A 217;ASP A 372;GLY A 363;PHE A 210","None;IND A 503 ( 4.3A); FE A 502 (-2.1A);None;IND A 503 ( 4.4A)","1.28A","5utuF-2b24A:undetectable","5m66C-2b24A:20.38"],["6F3N_B_ADNB505_1","-","2b24","NAPHTHALENE DIOXYGENASE LARGE SUBUNIT","Rhodococcus sp. NCIMB 12038",5,"THR A 322;THR A 217;ASP A 372;GLY A 363;PHE A 210","None;IND A 503 ( 4.3A); FE A 502 (-2.1A);None;IND A 503 ( 4.4A)","1.29A","6f3nB-2b24A:undetectable","5utuF-2b24A:23.77"]]