SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XLS'

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.	1MRG_A_ADNA300_1 (ALPHA-MOMORCHARIN)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	5 / 9	GLY A 127 TYR A 133 ILE A 184 GLU A 188 ARG A 252	XLS A 401 ( 4.7A) XLS A 401 ( 3.8A) XLS A 401 ( 4.3A) XLS A 401 (-3.2A) XLS A 401 ( 4.0A)	1.01A	1mrgA-2qw5A: undetectable	1mrgA-2qw5A: 23.53
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.	2NO0_A_GEOA302_1 (DEOXYCYTIDINE KINASE)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	5 / 12	ILE A 184 GLU A 280 LEU A 292 PHE A 288 GLU A 188	XLS A 401 ( 4.3A) ZN A 400 (-2.5A) None None XLS A 401 (-3.2A)	1.33A	2no0A-2qw5A: undetectable	2no0A-2qw5A: 21.35
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.	2NO0_B_GEOB302_1 (DEOXYCYTIDINE KINASE)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	5 / 12	ILE A 184 GLU A 280 LEU A 292 PHE A 288 GLU A 188	XLS A 401 ( 4.3A) ZN A 400 (-2.5A) None None XLS A 401 (-3.2A)	1.32A	2no0B-2qw5A: undetectable	2no0B-2qw5A: 21.35
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.	2ZZN_B_SAMB402_0 (UNCHARACTERIZED PROTEIN MJ0883)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	5 / 12	PHE A 93 GLY A 88 ILE A 184 ASP A 215 PHE A 282	None XLS A 401 ( 4.7A) XLS A 401 ( 4.3A) ZN A 400 (-3.3A) XLS A 401 (-4.6A)	1.45A	2zznB-2qw5A: undetectable	2zznB-2qw5A: 22.42
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.	3AQI_B_CHDB5_0 (FERROCHELATASE)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	3 / 3	PRO A 261 LEU A 260 ARG A 252	None None XLS A 401 ( 4.0A)	0.83A	3aqiB-2qw5A: undetectable	3aqiB-2qw5A: 21.43
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.	3D9L_A_ACTA501_0 (CTD-PEPTIDE RNA-BINDING PROTEIN 16)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	4 / 5	PRO A 192 ILE A 131 PRO A 190 TYR A 133	None None None XLS A 401 ( 3.8A)	1.29A	3d9lA-2qw5A: undetectable 3d9lY-2qw5A: undetectable	3d9lA-2qw5A: 16.27 3d9lY-2qw5A: 5.28
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.	4M2V_A_BZ1A302_2 (CARBONIC ANHYDRASE 2)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	3 / 3	HIS A 218 VAL A 233 LEU A 195	XLS A 401 (-4.3A) None None	0.68A	4m2vA-2qw5A: undetectable	4m2vA-2qw5A: 23.45
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.	4YP2_B_NCAB302_0 (RIBOSOME-INACTIVATIN G PROTEIN MOMORDIN I)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	5 / 9	GLY A 127 TYR A 133 ILE A 184 GLU A 188 ARG A 252	XLS A 401 ( 4.7A) XLS A 401 ( 3.8A) XLS A 401 ( 4.3A) XLS A 401 (-3.2A) XLS A 401 ( 4.0A)	1.01A	4yp2B-2qw5A: undetectable	4yp2B-2qw5A: 22.16
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.	5CF9_B_NCAB302_0 (RIBOSOME-INACTIVATIN G PROTEIN MOMORDIN I)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	5 / 9	GLY A 127 TYR A 133 ILE A 184 GLU A 188 ARG A 252	XLS A 401 ( 4.7A) XLS A 401 ( 3.8A) XLS A 401 ( 4.3A) XLS A 401 (-3.2A) XLS A 401 ( 4.0A)	1.01A	5cf9B-2qw5A: undetectable	5cf9B-2qw5A: 22.16
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.	5DWK_C_ACTC207_0 (DIACYLGLYCEROL KINASE)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	4 / 5	ALA A 278 GLU A 48 ASN A 86 GLU A 182	None None XLS A 401 (-3.2A) ZN A 400 ( 2.7A)	1.48A	5dwkC-2qw5A: undetectable	5dwkC-2qw5A: 17.31
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.	5Y2T_B_8LXB501_1 (PEROXISOME PROLIFERATOR-ACTIVAT ED RECEPTOR GAMMA)	2qw5	XYLOSE ISOMERASE-LIKE TIM BARREL (Trichormus variabilis)	4 / 8	GLU A 280 HIS A 218 PHE A 136 LEU A 150	ZN A 400 (-2.5A) XLS A 401 (-4.3A) None None	0.97A	5y2tB-2qw5A: undetectable	5y2tB-2qw5A: undetectable

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1MRG_A_ADNA300_1","ALPHA-MOMORCHARIN","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",5,"GLY A 127;TYR A 133;ILE A 184;GLU A 188;ARG A 252","XLS A 401 ( 4.7A);XLS A 401 ( 3.8A);XLS A 401 ( 4.3A);XLS A 401 (-3.2A);XLS A 401 ( 4.0A)","1.01A","1mrgA-2qw5A:undetectable",null],["2NO0_A_GEOA302_1","DEOXYCYTIDINE KINASE","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",5,"ILE A 184;GLU A 280;LEU A 292;PHE A 288;GLU A 188","XLS A 401 ( 4.3A); ZN A 400 (-2.5A);None;None;XLS A 401 (-3.2A)","1.33A","2no0A-2qw5A:undetectable","1mrgA-2qw5A:23.53"],["2NO0_B_GEOB302_1","DEOXYCYTIDINE KINASE","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",5,"ILE A 184;GLU A 280;LEU A 292;PHE A 288;GLU A 188","XLS A 401 ( 4.3A); ZN A 400 (-2.5A);None;None;XLS A 401 (-3.2A)","1.32A","2no0B-2qw5A:undetectable","2no0A-2qw5A:21.35"],["2ZZN_B_SAMB402_0","UNCHARACTERIZED PROTEIN MJ0883","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",5,"PHE A  93;GLY A  88;ILE A 184;ASP A 215;PHE A 282","None;XLS A 401 ( 4.7A);XLS A 401 ( 4.3A); ZN A 400 (-3.3A);XLS A 401 (-4.6A)","1.45A","2zznB-2qw5A:undetectable","2no0B-2qw5A:21.35"],["3AQI_B_CHDB5_0","FERROCHELATASE","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",3,"PRO A 261;LEU A 260;ARG A 252","None;None;XLS A 401 ( 4.0A)","0.83A","3aqiB-2qw5A:undetectable","2zznB-2qw5A:22.42"],["3D9L_A_ACTA501_0","CTD-PEPTIDE;RNA-BINDING PROTEIN 16","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",4,"PRO A 192;ILE A 131;PRO A 190;TYR A 133","None;None;None;XLS A 401 ( 3.8A)","1.29A","3d9lA-2qw5A:undetectable;3d9lY-2qw5A:undetectable","3aqiB-2qw5A:21.43"],["4M2V_A_BZ1A302_2","CARBONIC ANHYDRASE 2","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",3,"HIS A 218;VAL A 233;LEU A 195","XLS A 401 (-4.3A);None;None","0.68A","4m2vA-2qw5A:undetectable","3d9lA-2qw5A:16.27;3d9lY-2qw5A:5.28"],["4YP2_B_NCAB302_0","RIBOSOME-INACTIVATING PROTEIN MOMORDIN I","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",5,"GLY A 127;TYR A 133;ILE A 184;GLU A 188;ARG A 252","XLS A 401 ( 4.7A);XLS A 401 ( 3.8A);XLS A 401 ( 4.3A);XLS A 401 (-3.2A);XLS A 401 ( 4.0A)","1.01A","4yp2B-2qw5A:undetectable","4m2vA-2qw5A:23.45"],["5CF9_B_NCAB302_0","RIBOSOME-INACTIVATING PROTEIN MOMORDIN I","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",5,"GLY A 127;TYR A 133;ILE A 184;GLU A 188;ARG A 252","XLS A 401 ( 4.7A);XLS A 401 ( 3.8A);XLS A 401 ( 4.3A);XLS A 401 (-3.2A);XLS A 401 ( 4.0A)","1.01A","5cf9B-2qw5A:undetectable","4yp2B-2qw5A:22.16"],["5DWK_C_ACTC207_0","DIACYLGLYCEROL KINASE","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",4,"ALA A 278;GLU A  48;ASN A  86;GLU A 182","None;None;XLS A 401 (-3.2A); ZN A 400 ( 2.7A)","1.48A","5dwkC-2qw5A:undetectable","5cf9B-2qw5A:22.16"],["5Y2T_B_8LXB501_1","PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA","2qw5","XYLOSE ISOMERASE-LIKE TIM BARREL","Trichormus variabilis",4,"GLU A 280;HIS A 218;PHE A 136;LEU A 150"," ZN A 400 (-2.5A);XLS A 401 (-4.3A);None;None","0.97A","5y2tB-2qw5A:undetectable","5dwkC-2qw5A:17.31"]]