SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ED'

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 (%)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2IJ7_A_TPFA2472_1 (CYTOCHROME P450 121)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	11 / 11	THR A 77 VAL A 78 ASN A 85 MET A 86 PHE A 168 THR A 229 ALA A 233 SER A 237 PHE A 280 GLN A 385 ARG A 386	None None 1ED A 406 (-3.7A) HEM A 405 (-4.5A) 1ED A 406 (-4.1A) 1ED A 406 (-4.3A) HEM A 405 ( 3.8A) HEM A 405 (-3.9A) HEM A 405 (-4.2A) 1ED A 406 ( 4.8A) 1ED A 406 ( 4.6A)	0.37A	2ij7A-4ictA: 67.3	2ij7A-4ictA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2IJ7_B_TPFB2470_1 (CYTOCHROME P450 121)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	9 / 9	THR A 77 VAL A 78 ASN A 85 MET A 86 PHE A 168 THR A 229 ALA A 233 GLN A 385 ARG A 386	None None 1ED A 406 (-3.7A) HEM A 405 (-4.5A) 1ED A 406 (-4.1A) 1ED A 406 (-4.3A) HEM A 405 ( 3.8A) 1ED A 406 ( 4.8A) 1ED A 406 ( 4.6A)	0.51A	2ij7B-4ictA: 65.7	2ij7B-4ictA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2IJ7_C_TPFC2471_1 (CYTOCHROME P450 121)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	8 / 8	THR A 77 VAL A 78 VAL A 83 ASN A 85 PHE A 168 ALA A 233 GLN A 385 ARG A 386	None None 1ED A 406 (-3.6A) 1ED A 406 (-3.7A) 1ED A 406 (-4.1A) HEM A 405 ( 3.8A) 1ED A 406 ( 4.8A) 1ED A 406 ( 4.6A)	0.49A	2ij7C-4ictA: 66.5	2ij7C-4ictA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2IJ7_D_TPFD2473_1 (CYTOCHROME P450 121)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	10 / 10	THR A 77 VAL A 78 ASN A 85 PHE A 168 THR A 229 ALA A 233 SER A 237 PHE A 280 GLN A 385 ARG A 386	None None 1ED A 406 (-3.7A) 1ED A 406 (-4.1A) 1ED A 406 (-4.3A) HEM A 405 ( 3.8A) HEM A 405 (-3.9A) HEM A 405 (-4.2A) 1ED A 406 ( 4.8A) 1ED A 406 ( 4.6A)	0.26A	2ij7D-4ictA: 66.4	2ij7D-4ictA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2IJ7_D_TPFD2473_1 (CYTOCHROME P450 121)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	5 / 10	VAL A 83 SER A 237 PHE A 280 GLN A 385 ARG A 386	1ED A 406 (-3.6A) HEM A 405 (-3.9A) HEM A 405 (-4.2A) 1ED A 406 ( 4.8A) 1ED A 406 ( 4.6A)	1.50A	2ij7D-4ictA: 66.4	2ij7D-4ictA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2IJ7_F_TPFF2474_1 (CYTOCHROME P450 121)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	10 / 10	THR A 77 VAL A 78 ASN A 85 MET A 86 PHE A 168 THR A 229 ALA A 233 SER A 237 GLN A 385 ARG A 386	None None 1ED A 406 (-3.7A) HEM A 405 (-4.5A) 1ED A 406 (-4.1A) 1ED A 406 (-4.3A) HEM A 405 ( 3.8A) HEM A 405 (-3.9A) 1ED A 406 ( 4.8A) 1ED A 406 ( 4.6A)	0.31A	2ij7F-4ictA: 66.6	2ij7F-4ictA: 100.00
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.	2WA2_B_SAMB1267_0 (NON-STRUCTURAL PROTEIN 5)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	5 / 12	GLY A 191 GLU A 194 VAL A 228 THR A 229 ILE A 186	None None None 1ED A 406 (-4.3A) None	0.99A	2wa2B-4ictA: undetectable	2wa2B-4ictA: 21.04
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.	3IB2_A_IBPA3960_1 (LACTOTRANSFERRIN)	4ict	CYTOCHROME P450 121 (Mycobacterium tuberculosis)	4 / 4	GLY A 201 VAL A 149 GLY A 227 THR A 229	None None None 1ED A 406 (-4.3A)	0.91A	3ib2A-4ictA: undetectable	3ib2A-4ictA: 24.51

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2IJ7_A_TPFA2472_1","CYTOCHROME P450 121","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",11,"THR A  77;VAL A  78;ASN A  85;MET A  86;PHE A 168;THR A 229;ALA A 233;SER A 237;PHE A 280;GLN A 385;ARG A 386","None;None;1ED A 406 (-3.7A);HEM A 405 (-4.5A);1ED A 406 (-4.1A);1ED A 406 (-4.3A);HEM A 405 ( 3.8A);HEM A 405 (-3.9A);HEM A 405 (-4.2A);1ED A 406 ( 4.8A);1ED A 406 ( 4.6A)","0.37A","2ij7A-4ictA:67.3",null],["2IJ7_B_TPFB2470_1","CYTOCHROME P450 121","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",9,"THR A  77;VAL A  78;ASN A  85;MET A  86;PHE A 168;THR A 229;ALA A 233;GLN A 385;ARG A 386","None;None;1ED A 406 (-3.7A);HEM A 405 (-4.5A);1ED A 406 (-4.1A);1ED A 406 (-4.3A);HEM A 405 ( 3.8A);1ED A 406 ( 4.8A);1ED A 406 ( 4.6A)","0.51A","2ij7B-4ictA:65.7","2ij7A-4ictA:100.00"],["2IJ7_C_TPFC2471_1","CYTOCHROME P450 121","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",8,"THR A  77;VAL A  78;VAL A  83;ASN A  85;PHE A 168;ALA A 233;GLN A 385;ARG A 386","None;None;1ED A 406 (-3.6A);1ED A 406 (-3.7A);1ED A 406 (-4.1A);HEM A 405 ( 3.8A);1ED A 406 ( 4.8A);1ED A 406 ( 4.6A)","0.49A","2ij7C-4ictA:66.5","2ij7B-4ictA:100.00"],["2IJ7_D_TPFD2473_1","CYTOCHROME P450 121","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",10,"THR A  77;VAL A  78;ASN A  85;PHE A 168;THR A 229;ALA A 233;SER A 237;PHE A 280;GLN A 385;ARG A 386","None;None;1ED A 406 (-3.7A);1ED A 406 (-4.1A);1ED A 406 (-4.3A);HEM A 405 ( 3.8A);HEM A 405 (-3.9A);HEM A 405 (-4.2A);1ED A 406 ( 4.8A);1ED A 406 ( 4.6A)","0.26A","2ij7D-4ictA:66.4","2ij7C-4ictA:100.00"],["2IJ7_D_TPFD2473_1","CYTOCHROME P450 121","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",5,"VAL A  83;SER A 237;PHE A 280;GLN A 385;ARG A 386","1ED A 406 (-3.6A);HEM A 405 (-3.9A);HEM A 405 (-4.2A);1ED A 406 ( 4.8A);1ED A 406 ( 4.6A)","1.50A","2ij7D-4ictA:66.4","2ij7D-4ictA:100.00"],["2IJ7_F_TPFF2474_1","CYTOCHROME P450 121","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",10,"THR A  77;VAL A  78;ASN A  85;MET A  86;PHE A 168;THR A 229;ALA A 233;SER A 237;GLN A 385;ARG A 386","None;None;1ED A 406 (-3.7A);HEM A 405 (-4.5A);1ED A 406 (-4.1A);1ED A 406 (-4.3A);HEM A 405 ( 3.8A);HEM A 405 (-3.9A);1ED A 406 ( 4.8A);1ED A 406 ( 4.6A)","0.31A","2ij7F-4ictA:66.6","2ij7D-4ictA:100.00"],["2WA2_B_SAMB1267_0","NON-STRUCTURAL PROTEIN 5","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",5,"GLY A 191;GLU A 194;VAL A 228;THR A 229;ILE A 186","None;None;None;1ED A 406 (-4.3A);None","0.99A","2wa2B-4ictA:undetectable","2ij7F-4ictA:100.00"],["3IB2_A_IBPA3960_1","LACTOTRANSFERRIN","4ict","CYTOCHROME P450 121","Mycobacterium tuberculosis",4,"GLY A 201;VAL A 149;GLY A 227;THR A 229","None;None;None;1ED A 406 (-4.3A)","0.91A","3ib2A-4ictA:undetectable","2wa2B-4ictA:21.04"]]