SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AXX'

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.	1HK1_A_T44A3003_1 (SERUM ALBUMIN)	2pzi	PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNG (Mycobacterium tuberculosis)	4 / 6	HIS A 159 ILE A 165 ALA A 91 VAL A 179	None AXX A 753 ( 4.3A) AXX A 753 (-3.5A) AXX A 753 ( 4.6A)	0.97A	1hk1A-2pziA: 3.2	1hk1A-2pziA: 22.30
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.	4AN2_A_EUIA1382_1 (DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1)	2pzi	PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNG (Mycobacterium tuberculosis)	7 / 12	LYS A 181 ILE A 230 MET A 232 ASP A 276 LYS A 278 ASN A 281 ASP A 293	AXX A 753 ( 4.3A) None AXX A 753 (-3.6A) None None None AXX A 753 ( 4.4A)	0.92A	4an2A-2pziA: 8.8	4an2A-2pziA: 19.59
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.	4AN2_A_EUIA1382_1 (DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1)	2pzi	PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNG (Mycobacterium tuberculosis)	7 / 12	LYS A 181 LEU A 202 ILE A 230 MET A 232 LYS A 278 ASN A 281 ASP A 293	AXX A 753 ( 4.3A) None None AXX A 753 (-3.6A) None None AXX A 753 ( 4.4A)	1.03A	4an2A-2pziA: 8.8	4an2A-2pziA: 19.59
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.	4FGL_A_CLQA303_0 (RIBOSYLDIHYDRONICOTI NAMIDE DEHYDROGENASE [QUINONE])	2pzi	PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNG (Mycobacterium tuberculosis)	5 / 12	GLY A 236 GLY A 237 ILE A 292 VAL A 178 ILE A 157	AXX A 753 ( 3.9A) None AXX A 753 (-4.3A) None AXX A 753 ( 4.1A)	1.23A	4fglA-2pziA: undetectable 4fglB-2pziA: undetectable	4fglA-2pziA: 15.54 4fglB-2pziA: 15.54
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.	4KM0_A_CP6A201_1 (DIHYDROFOLATE REDUCTASE)	2pzi	PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNG (Mycobacterium tuberculosis)	5 / 10	ILE A 292 THR A 334 LEU A 338 ILE A 282 TYR A 274	AXX A 753 (-4.3A) None None None None	1.07A	4km0A-2pziA: undetectable	4km0A-2pziA: 15.81
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.	4KM0_B_CP6B201_1 (DIHYDROFOLATE REDUCTASE)	2pzi	PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNG (Mycobacterium tuberculosis)	5 / 12	ILE A 292 THR A 334 LEU A 338 ILE A 282 TYR A 274	AXX A 753 (-4.3A) None None None None	1.05A	4km0B-2pziA: undetectable	4km0B-2pziA: 15.81
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.	4LMN_A_EUIA503_1 (DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1)	2pzi	PROBABLE SERINE/THREONINE-PRO TEIN KINASE PKNG (Mycobacterium tuberculosis)	6 / 12	LYS A 181 LEU A 202 ILE A 230 MET A 232 ASN A 281 ASP A 293	AXX A 753 ( 4.3A) None None AXX A 753 (-3.6A) None AXX A 753 ( 4.4A)	0.95A	4lmnA-2pziA: 14.0	4lmnA-2pziA: 19.52

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1HK1_A_T44A3003_1","SERUM ALBUMIN","2pzi","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNG","Mycobacterium tuberculosis",4,"HIS A 159;ILE A 165;ALA A  91;VAL A 179","None;AXX A 753 ( 4.3A);AXX A 753 (-3.5A);AXX A 753 ( 4.6A)","0.97A","1hk1A-2pziA:3.2",null],["4AN2_A_EUIA1382_1","DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1","2pzi","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNG","Mycobacterium tuberculosis",7,"LYS A 181;ILE A 230;MET A 232;ASP A 276;LYS A 278;ASN A 281;ASP A 293","AXX A 753 ( 4.3A);None;AXX A 753 (-3.6A);None;None;None;AXX A 753 ( 4.4A)","0.92A","4an2A-2pziA:8.8","1hk1A-2pziA:22.30"],["4AN2_A_EUIA1382_1","DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1","2pzi","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNG","Mycobacterium tuberculosis",7,"LYS A 181;LEU A 202;ILE A 230;MET A 232;LYS A 278;ASN A 281;ASP A 293","AXX A 753 ( 4.3A);None;None;AXX A 753 (-3.6A);None;None;AXX A 753 ( 4.4A)","1.03A","4an2A-2pziA:8.8","4an2A-2pziA:19.59"],["4FGL_A_CLQA303_0","RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE]","2pzi","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNG","Mycobacterium tuberculosis",5,"GLY A 236;GLY A 237;ILE A 292;VAL A 178;ILE A 157","AXX A 753 ( 3.9A);None;AXX A 753 (-4.3A);None;AXX A 753 ( 4.1A)","1.23A","4fglA-2pziA:undetectable;4fglB-2pziA:undetectable","4an2A-2pziA:19.59"],["4KM0_A_CP6A201_1","DIHYDROFOLATE REDUCTASE","2pzi","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNG","Mycobacterium tuberculosis",5,"ILE A 292;THR A 334;LEU A 338;ILE A 282;TYR A 274","AXX A 753 (-4.3A);None;None;None;None","1.07A","4km0A-2pziA:undetectable","4fglA-2pziA:15.54;4fglB-2pziA:15.54"],["4KM0_B_CP6B201_1","DIHYDROFOLATE REDUCTASE","2pzi","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNG","Mycobacterium tuberculosis",5,"ILE A 292;THR A 334;LEU A 338;ILE A 282;TYR A 274","AXX A 753 (-4.3A);None;None;None;None","1.05A","4km0B-2pziA:undetectable","4km0A-2pziA:15.81"],["4LMN_A_EUIA503_1","DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1","2pzi","PROBABLE SERINE\/THREONINE-PROTEIN KINASE PKNG","Mycobacterium tuberculosis",6,"LYS A 181;LEU A 202;ILE A 230;MET A 232;ASN A 281;ASP A 293","AXX A 753 ( 4.3A);None;None;AXX A 753 (-3.6A);None;AXX A 753 ( 4.4A)","0.95A","4lmnA-2pziA:14.0","4km0B-2pziA:15.81"]]