SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4kry'

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.	1AEG_A_4APA296_1 (CYTOCHROME C PEROXIDASE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 8	HIS A 292 GLY A 215 GLY A 210 LEU A 264 ASP A 262	SEB A 165 ( 4.1A) None None None None	0.87A	1aegA-4kryA: undetectable	1aegA-4kryA: 20.71
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.	1DZM_B_BZMB600_0 (ODORANT-BINDING PROTEIN)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 9	ILE A 159 VAL A 65 MET A 156 GLY A 186 LEU A 178	None	1.31A	1dzmB-4kryA: undetectable	1dzmB-4kryA: 16.88
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.	1ERR_A_RALA600_2 (ESTROGEN RECEPTOR)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 6	LEU A 170 LEU A 229 LEU A 247 LEU A 275	None	0.87A	1errA-4kryA: undetectable	1errA-4kryA: 21.67
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.	1KF6_N_ACTN803_0 (FUMARATE REDUCTASE FLAVOPROTEIN FUMARATE REDUCTASE IRON-SULFUR PROTEIN)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 6	ARG A 206 GLY A 199 ASP A 267 TYR A 240	PGE A 401 (-3.2A) PGE A 401 (-3.1A) PGE A 401 ( 4.4A) None	1.31A	1kf6M-4kryA: undetectable 1kf6N-4kryA: undetectable	1kf6M-4kryA: 19.42 1kf6N-4kryA: 23.03
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.	2HA4_A_ACTA544_0 (ACETYLCHOLINESTERASE)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 8	GLY A 93 GLY A 94 ALA A 166 HIS A 292	SEB A 165 ( 3.6A) SEB A 165 ( 3.5A) SEB A 165 ( 3.4A) SEB A 165 ( 4.1A)	0.21A	2ha4A-4kryA: 4.5	2ha4A-4kryA: 22.24
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.	2HA4_B_ACTB601_0 (ACETYLCHOLINESTERASE)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 7	GLY A 93 GLY A 94 ALA A 166 HIS A 292	SEB A 165 ( 3.6A) SEB A 165 ( 3.5A) SEB A 165 ( 3.4A) SEB A 165 ( 4.1A)	0.17A	2ha4B-4kryA: 18.1	2ha4B-4kryA: 22.24
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.	2PNC_A_CLUA808_1 (COPPER AMINE OXIDASE, LIVER ISOZYME)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 7	ALA A 293 TYR A 195 MET A 301 HIS A 296	None SEB A 165 ( 4.8A) None None	1.37A	2pncA-4kryA: undetectable	2pncA-4kryA: 19.18
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.	3G1U_B_ADNB438_1 (ADENOSYLHOMOCYSTEINA SE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	LEU A 100 THR A 102 ASP A 122 LEU A 125 GLY A 93	None None None None SEB A 165 ( 3.6A)	1.29A	3g1uB-4kryA: undetectable	3g1uB-4kryA: 21.30
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.	3G1U_C_ADNC438_1 (ADENOSYLHOMOCYSTEINA SE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	LEU A 100 THR A 102 ASP A 122 LEU A 125 GLY A 93	None None None None SEB A 165 ( 3.6A)	1.31A	3g1uC-4kryA: 5.2	3g1uC-4kryA: 21.30
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.	3G1U_D_ADND438_1 (ADENOSYLHOMOCYSTEINA SE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	LEU A 100 THR A 102 ASP A 122 LEU A 125 GLY A 93	None None None None SEB A 165 ( 3.6A)	1.28A	3g1uD-4kryA: 5.4	3g1uD-4kryA: 21.30
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.	3M6V_A_SAMA465_0 (RRNA METHYLASE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	ALA A 168 GLY A 94 GLY A 93 ASP A 267 ASP A 164	SEB A 165 ( 3.4A) SEB A 165 ( 3.5A) SEB A 165 ( 3.6A) PGE A 401 ( 4.4A) SEB A 165 ( 4.4A)	1.10A	3m6vA-4kryA: undetectable	3m6vA-4kryA: 22.32
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.	3M6V_B_SAMB465_0 (RRNA METHYLASE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	ALA A 168 GLY A 94 GLY A 93 ASP A 267 ASP A 164	SEB A 165 ( 3.4A) SEB A 165 ( 3.5A) SEB A 165 ( 3.6A) PGE A 401 ( 4.4A) SEB A 165 ( 4.4A)	1.10A	3m6vB-4kryA: undetectable	3m6vB-4kryA: 22.32
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.	3O9M_A_BEZA999_0 (CHOLINESTERASE)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 7	GLY A 93 GLY A 94 LEU A 221 HIS A 292	SEB A 165 ( 3.6A) SEB A 165 ( 3.5A) PGE A 401 (-4.1A) SEB A 165 ( 4.1A)	0.48A	3o9mA-4kryA: 2.9	3o9mA-4kryA: 18.84
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.	3O9M_B_BEZB999_0 (CHOLINESTERASE)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 6	GLY A 93 GLY A 94 LEU A 221 HIS A 292	SEB A 165 ( 3.6A) SEB A 165 ( 3.5A) PGE A 401 (-4.1A) SEB A 165 ( 4.1A)	0.49A	3o9mB-4kryA: 4.4	3o9mB-4kryA: 18.84
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.	3OU7_B_SAMB300_0 (SAM-DEPENDENT METHYLTRANSFERASE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	LEU A 209 ALA A 259 GLY A 258 TRP A 194 HIS A 292	None None None None SEB A 165 ( 4.1A)	1.15A	3ou7B-4kryA: 3.4	3ou7B-4kryA: 22.83
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.	3TKA_A_SAMA400_0 (RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE H)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	GLY A 196 GLY A 163 ARG A 269 ASP A 267 PHE A 284	SEB A 165 ( 3.5A) None None PGE A 401 ( 4.4A) None	1.31A	3tkaA-4kryA: 3.0	3tkaA-4kryA: 21.96
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.	3UVV_A_T3A501_2 (THYROID HORMONE RECEPTOR ALPHA)	4kry	ACETYL ESTERASE (Escherichia coli)	3 / 3	ARG A 75 MET A 107 ARG A 108	None	1.38A	3uvvA-4kryA: undetectable	3uvvA-4kryA: 21.70
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.	3WDM_C_ADNC301_1 (4-PHOSPHOPANTOATE--B ETA-ALANINE LIGASE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 9	GLY A 210 LEU A 10 LEU A 291 ASP A 262 LEU A 209	None	1.00A	3wdmC-4kryA: undetectable	3wdmC-4kryA: 21.73
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.	3WDM_D_ADND301_1 (4-PHOSPHOPANTOATE--B ETA-ALANINE LIGASE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 10	GLY A 210 LEU A 10 LEU A 291 ASP A 262 LEU A 209	None	0.98A	3wdmD-4kryA: undetectable	3wdmD-4kryA: 21.73
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.	4GRQ_C_AVLC203_1 (MACROPHAGE MIGRATION INHIBITORY FACTOR)	4kry	ACETYL ESTERASE (Escherichia coli)	4 / 7	PHE A 294 TYR A 287 TRP A 194 PHE A 255	None	1.42A	4grqA-4kryA: undetectable 4grqC-4kryA: undetectable	4grqA-4kryA: 19.06 4grqC-4kryA: 19.06
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.	4UDC_A_DEXA1778_2 (GLUCOCORTICOID RECEPTOR)	4kry	ACETYL ESTERASE (Escherichia coli)	3 / 3	MET A 64 GLN A 133 TYR A 69	PGE A 402 (-4.2A) None None	0.89A	4udcA-4kryA: undetectable	4udcA-4kryA: 24.36
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.	5DXG_B_ESTB601_1 (ESTROGEN RECEPTOR)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 11	LEU A 176 ALA A 173 LEU A 271 GLY A 163 LEU A 90	None	1.18A	5dxgB-4kryA: undetectable	5dxgB-4kryA: 22.76
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.	5FCT_B_C2FB402_0 (THYMIDYLATE SYNTHASE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	VAL A 118 PHE A 88 ILE A 121 LEU A 125 ALA A 166	None None None None SEB A 165 ( 3.4A)	1.26A	5fctB-4kryA: undetectable	5fctB-4kryA: 21.20
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.	6APH_A_ADNA501_1 (ADENOSYLHOMOCYSTEINA SE)	4kry	ACETYL ESTERASE (Escherichia coli)	5 / 12	LEU A 100 THR A 102 ASP A 122 LEU A 125 GLY A 93	None None None None SEB A 165 ( 3.6A)	1.29A	6aphA-4kryA: 5.9	6aphA-4kryA: 21.76

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1AEG_A_4APA296_1","CYTOCHROME C PEROXIDASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"HIS A 292;GLY A 215;GLY A 210;LEU A 264;ASP A 262","SEB A 165 ( 4.1A);None;None;None;None","0.87A","1aegA-4kryA:undetectable","1aegA-4kryA:20.71"],["1DZM_B_BZMB600_0","ODORANT-BINDING PROTEIN","4kry","ACETYL ESTERASE","Escherichia coli",5,"ILE A 159;VAL A  65;MET A 156;GLY A 186;LEU A 178","None","1.31A","1dzmB-4kryA:undetectable","1dzmB-4kryA:16.88"],["1ERR_A_RALA600_2","ESTROGEN RECEPTOR","4kry","ACETYL ESTERASE","Escherichia coli",4,"LEU A 170;LEU A 229;LEU A 247;LEU A 275","None","0.87A","1errA-4kryA:undetectable","1errA-4kryA:21.67"],["1KF6_N_ACTN803_0","FUMARATE REDUCTASE FLAVOPROTEIN;FUMARATE REDUCTASE IRON-SULFUR PROTEIN","4kry","ACETYL ESTERASE","Escherichia coli",4,"ARG A 206;GLY A 199;ASP A 267;TYR A 240","PGE A 401 (-3.2A);PGE A 401 (-3.1A);PGE A 401 ( 4.4A);None","1.31A","1kf6M-4kryA:undetectable;1kf6N-4kryA:undetectable","1kf6M-4kryA:19.42;1kf6N-4kryA:23.03"],["2HA4_A_ACTA544_0","ACETYLCHOLINESTERASE","4kry","ACETYL ESTERASE","Escherichia coli",4,"GLY A  93;GLY A  94;ALA A 166;HIS A 292","SEB A 165 ( 3.6A);SEB A 165 ( 3.5A);SEB A 165 ( 3.4A);SEB A 165 ( 4.1A)","0.21A","2ha4A-4kryA:4.5","2ha4A-4kryA:22.24"],["2HA4_B_ACTB601_0","ACETYLCHOLINESTERASE","4kry","ACETYL ESTERASE","Escherichia coli",4,"GLY A  93;GLY A  94;ALA A 166;HIS A 292","SEB A 165 ( 3.6A);SEB A 165 ( 3.5A);SEB A 165 ( 3.4A);SEB A 165 ( 4.1A)","0.17A","2ha4B-4kryA:18.1","2ha4B-4kryA:22.24"],["2PNC_A_CLUA808_1","COPPER AMINE OXIDASE, LIVER ISOZYME","4kry","ACETYL ESTERASE","Escherichia coli",4,"ALA A 293;TYR A 195;MET A 301;HIS A 296","None;SEB A 165 ( 4.8A);None;None","1.37A","2pncA-4kryA:undetectable","2pncA-4kryA:19.18"],["3G1U_B_ADNB438_1","ADENOSYLHOMOCYSTEINASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"LEU A 100;THR A 102;ASP A 122;LEU A 125;GLY A  93","None;None;None;None;SEB A 165 ( 3.6A)","1.29A","3g1uB-4kryA:undetectable","3g1uB-4kryA:21.30"],["3G1U_C_ADNC438_1","ADENOSYLHOMOCYSTEINASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"LEU A 100;THR A 102;ASP A 122;LEU A 125;GLY A  93","None;None;None;None;SEB A 165 ( 3.6A)","1.31A","3g1uC-4kryA:5.2","3g1uC-4kryA:21.30"],["3G1U_D_ADND438_1","ADENOSYLHOMOCYSTEINASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"LEU A 100;THR A 102;ASP A 122;LEU A 125;GLY A  93","None;None;None;None;SEB A 165 ( 3.6A)","1.28A","3g1uD-4kryA:5.4","3g1uD-4kryA:21.30"],["3M6V_A_SAMA465_0","RRNA METHYLASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"ALA A 168;GLY A  94;GLY A  93;ASP A 267;ASP A 164","SEB A 165 ( 3.4A);SEB A 165 ( 3.5A);SEB A 165 ( 3.6A);PGE A 401 ( 4.4A);SEB A 165 ( 4.4A)","1.10A","3m6vA-4kryA:undetectable","3m6vA-4kryA:22.32"],["3M6V_B_SAMB465_0","RRNA METHYLASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"ALA A 168;GLY A  94;GLY A  93;ASP A 267;ASP A 164","SEB A 165 ( 3.4A);SEB A 165 ( 3.5A);SEB A 165 ( 3.6A);PGE A 401 ( 4.4A);SEB A 165 ( 4.4A)","1.10A","3m6vB-4kryA:undetectable","3m6vB-4kryA:22.32"],["3O9M_A_BEZA999_0","CHOLINESTERASE","4kry","ACETYL ESTERASE","Escherichia coli",4,"GLY A  93;GLY A  94;LEU A 221;HIS A 292","SEB A 165 ( 3.6A);SEB A 165 ( 3.5A);PGE A 401 (-4.1A);SEB A 165 ( 4.1A)","0.48A","3o9mA-4kryA:2.9","3o9mA-4kryA:18.84"],["3O9M_B_BEZB999_0","CHOLINESTERASE","4kry","ACETYL ESTERASE","Escherichia coli",4,"GLY A  93;GLY A  94;LEU A 221;HIS A 292","SEB A 165 ( 3.6A);SEB A 165 ( 3.5A);PGE A 401 (-4.1A);SEB A 165 ( 4.1A)","0.49A","3o9mB-4kryA:4.4","3o9mB-4kryA:18.84"],["3OU7_B_SAMB300_0","SAM-DEPENDENT METHYLTRANSFERASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"LEU A 209;ALA A 259;GLY A 258;TRP A 194;HIS A 292","None;None;None;None;SEB A 165 ( 4.1A)","1.15A","3ou7B-4kryA:3.4","3ou7B-4kryA:22.83"],["3TKA_A_SAMA400_0","RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE H","4kry","ACETYL ESTERASE","Escherichia coli",5,"GLY A 196;GLY A 163;ARG A 269;ASP A 267;PHE A 284","SEB A 165 ( 3.5A);None;None;PGE A 401 ( 4.4A);None","1.31A","3tkaA-4kryA:3.0","3tkaA-4kryA:21.96"],["3UVV_A_T3A501_2","THYROID HORMONE RECEPTOR ALPHA","4kry","ACETYL ESTERASE","Escherichia coli",3,"ARG A  75;MET A 107;ARG A 108","None","1.38A","3uvvA-4kryA:undetectable","3uvvA-4kryA:21.70"],["3WDM_C_ADNC301_1","4-PHOSPHOPANTOATE--BETA-ALANINE LIGASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"GLY A 210;LEU A  10;LEU A 291;ASP A 262;LEU A 209","None","1.00A","3wdmC-4kryA:undetectable","3wdmC-4kryA:21.73"],["3WDM_D_ADND301_1","4-PHOSPHOPANTOATE--BETA-ALANINE LIGASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"GLY A 210;LEU A  10;LEU A 291;ASP A 262;LEU A 209","None","0.98A","3wdmD-4kryA:undetectable","3wdmD-4kryA:21.73"],["4GRQ_C_AVLC203_1","MACROPHAGE MIGRATION INHIBITORY FACTOR;MACROPHAGE MIGRATION INHIBITORY FACTOR","4kry","ACETYL ESTERASE","Escherichia coli",4,"PHE A 294;TYR A 287;TRP A 194;PHE A 255","None","1.42A","4grqA-4kryA:undetectable;4grqC-4kryA:undetectable","4grqA-4kryA:19.06;4grqC-4kryA:19.06"],["4UDC_A_DEXA1778_2","GLUCOCORTICOID RECEPTOR","4kry","ACETYL ESTERASE","Escherichia coli",3,"MET A  64;GLN A 133;TYR A  69","PGE A 402 (-4.2A);None;None","0.89A","4udcA-4kryA:undetectable","4udcA-4kryA:24.36"],["5DXG_B_ESTB601_1","ESTROGEN RECEPTOR","4kry","ACETYL ESTERASE","Escherichia coli",5,"LEU A 176;ALA A 173;LEU A 271;GLY A 163;LEU A  90","None","1.18A","5dxgB-4kryA:undetectable","5dxgB-4kryA:22.76"],["5FCT_B_C2FB402_0","THYMIDYLATE SYNTHASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"VAL A 118;PHE A  88;ILE A 121;LEU A 125;ALA A 166","None;None;None;None;SEB A 165 ( 3.4A)","1.26A","5fctB-4kryA:undetectable","5fctB-4kryA:21.20"],["6APH_A_ADNA501_1","ADENOSYLHOMOCYSTEINASE","4kry","ACETYL ESTERASE","Escherichia coli",5,"LEU A 100;THR A 102;ASP A 122;LEU A 125;GLY A  93","None;None;None;None;SEB A 165 ( 3.6A)","1.29A","6aphA-4kryA:5.9","6aphA-4kryA:21.76"]]