SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ig0'

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.	1E7C_A_HLTA4002_1 (SERUM ALBUMIN)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	4 / 5	ARG A 631 ALA A 564 LYS A 526 GLU A 454	ARG A 631 ( 0.6A) ALA A 564 ( 0.0A) LYS A 526 ( 0.0A) GLU A 454 ( 0.6A)	1.09A	1e7cA-3ig0A: undetectable	1e7cA-3ig0A: 17.65
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.	2R2V_D_ACTD36_0 (GCN4 LEUCINE ZIPPER)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	3 / 3	SER A 453 TYR A 524 HIS A 525	SER A 453 ( 0.0A) TYR A 524 ( 1.3A) HIS A 525 ( 1.0A)	0.74A	2r2vD-3ig0A: undetectable	2r2vD-3ig0A: 11.06
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.	4K0S_A_AZMA302_1 (CARBONIC ANHYDRASE 2)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	5 / 11	HIS A 560 VAL A 561 LEU A 544 LEU A 509 THR A 511	HIS A 560 ( 1.0A) VAL A 561 ( 0.6A) LEU A 544 ( 0.6A) LEU A 509 ( 0.6A) THR A 511 ( 0.8A)	1.08A	4k0sA-3ig0A: undetectable	4k0sA-3ig0A: 23.40
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.	4NKX_C_STRC601_2 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	4 / 5	ILE A 513 ARG A 553 ASP A 645 VAL A 496	ILE A 513 ( 0.3A) ARG A 553 ( 0.6A) ASP A 645 ( 0.6A) VAL A 496 ( 0.6A)	1.17A	4nkxC-3ig0A: undetectable	4nkxC-3ig0A: 18.99
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.	4NKX_D_STRD601_2 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	4 / 5	ILE A 513 ARG A 553 ASP A 645 VAL A 496	ILE A 513 ( 0.3A) ARG A 553 ( 0.6A) ASP A 645 ( 0.6A) VAL A 496 ( 0.6A)	1.16A	4nkxD-3ig0A: undetectable	4nkxD-3ig0A: 18.99
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.	4NKX_D_STRD601_2 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	4 / 5	ILE A 513 ARG A 553 ASP A 645 VAL A 502	ILE A 513 ( 0.3A) ARG A 553 ( 0.6A) ASP A 645 ( 0.6A) VAL A 502 ( 0.6A)	1.24A	4nkxD-3ig0A: undetectable	4nkxD-3ig0A: 18.99
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.	4RMJ_A_NCAA402_0 (NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	4 / 7	ILE A 527 LEU A 563 LEU A 545 ILE A 556	ILE A 527 ( 0.6A) LEU A 563 ( 0.6A) LEU A 545 ( 0.6A) ILE A 556 ( 0.6A)	0.87A	4rmjA-3ig0A: undetectable	4rmjA-3ig0A: 23.27
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.	4YSH_B_GLYB401_0 (GLYCINE OXIDASE)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	4 / 6	LYS A 521 GLY A 510 TYR A 524 ALA A 508	LYS A 521 ( 0.0A) GLY A 510 ( 0.0A) TYR A 524 ( 1.3A) ALA A 508 ( 0.0A)	1.00A	4yshB-3ig0A: undetectable	4yshB-3ig0A: 21.58
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.	5TWJ_B_SAMB201_0 (RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE H)	3ig0	DNA GYRASE SUBUNIT B (Mycobacterium tuberculosis)	5 / 10	ILE A 505 ILE A 513 GLY A 512 GLY A 510 LEU A 547	ILE A 505 ( 0.6A) ILE A 513 ( 0.3A) GLY A 512 ( 0.0A) GLY A 510 ( 0.0A) LEU A 547 ( 0.6A)	1.08A	5twjB-3ig0A: undetectable	5twjB-3ig0A: 23.85

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1E7C_A_HLTA4002_1","SERUM ALBUMIN","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",4,"ARG A 631;ALA A 564;LYS A 526;GLU A 454","ARG A 631 ( 0.6A);ALA A 564 ( 0.0A);LYS A 526 ( 0.0A);GLU A 454 ( 0.6A)","1.09A","1e7cA-3ig0A:undetectable","1e7cA-3ig0A:17.65"],["2R2V_D_ACTD36_0","GCN4 LEUCINE ZIPPER","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",3,"SER A 453;TYR A 524;HIS A 525","SER A 453 ( 0.0A);TYR A 524 ( 1.3A);HIS A 525 ( 1.0A)","0.74A","2r2vD-3ig0A:undetectable","2r2vD-3ig0A:11.06"],["4K0S_A_AZMA302_1","CARBONIC ANHYDRASE 2","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",5,"HIS A 560;VAL A 561;LEU A 544;LEU A 509;THR A 511","HIS A 560 ( 1.0A);VAL A 561 ( 0.6A);LEU A 544 ( 0.6A);LEU A 509 ( 0.6A);THR A 511 ( 0.8A)","1.08A","4k0sA-3ig0A:undetectable","4k0sA-3ig0A:23.40"],["4NKX_C_STRC601_2","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",4,"ILE A 513;ARG A 553;ASP A 645;VAL A 496","ILE A 513 ( 0.3A);ARG A 553 ( 0.6A);ASP A 645 ( 0.6A);VAL A 496 ( 0.6A)","1.17A","4nkxC-3ig0A:undetectable","4nkxC-3ig0A:18.99"],["4NKX_D_STRD601_2","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",4,"ILE A 513;ARG A 553;ASP A 645;VAL A 496","ILE A 513 ( 0.3A);ARG A 553 ( 0.6A);ASP A 645 ( 0.6A);VAL A 496 ( 0.6A)","1.16A","4nkxD-3ig0A:undetectable","4nkxD-3ig0A:18.99"],["4NKX_D_STRD601_2","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",4,"ILE A 513;ARG A 553;ASP A 645;VAL A 502","ILE A 513 ( 0.3A);ARG A 553 ( 0.6A);ASP A 645 ( 0.6A);VAL A 502 ( 0.6A)","1.24A","4nkxD-3ig0A:undetectable","4nkxD-3ig0A:18.99"],["4RMJ_A_NCAA402_0","NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",4,"ILE A 527;LEU A 563;LEU A 545;ILE A 556","ILE A 527 ( 0.6A);LEU A 563 ( 0.6A);LEU A 545 ( 0.6A);ILE A 556 ( 0.6A)","0.87A","4rmjA-3ig0A:undetectable","4rmjA-3ig0A:23.27"],["4YSH_B_GLYB401_0","GLYCINE OXIDASE","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",4,"LYS A 521;GLY A 510;TYR A 524;ALA A 508","LYS A 521 ( 0.0A);GLY A 510 ( 0.0A);TYR A 524 ( 1.3A);ALA A 508 ( 0.0A)","1.00A","4yshB-3ig0A:undetectable","4yshB-3ig0A:21.58"],["5TWJ_B_SAMB201_0","RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE H","3ig0","DNA GYRASE SUBUNIT B","Mycobacterium tuberculosis",5,"ILE A 505;ILE A 513;GLY A 512;GLY A 510;LEU A 547","ILE A 505 ( 0.6A);ILE A 513 ( 0.3A);GLY A 512 ( 0.0A);GLY A 510 ( 0.0A);LEU A 547 ( 0.6A)","1.08A","5twjB-3ig0A:undetectable","5twjB-3ig0A:23.85"]]