SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ABU'

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.	2AVD_A_SAMA501_0 (CATECHOL-O-METHYLTRA NSFERASE)	4euo	ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE) (Agrobacterium fabrum)	5 / 12	GLY A 83 TYR A 116 SER A 117 ALA A 246 TYR A 123	None None None None ABU A 404 ( 4.0A)	1.41A	2avdA-4euoA: undetectable	2avdA-4euoA: 18.60
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.	2BR4_B_SAMB301_1 (CEPHALOSPORIN HYDROXYLASE CMCI)	2okk	GLUTAMATE DECARBOXYLASE 2 (Homo sapiens)	4 / 4	LEU A 182 SER A 405 ASP A 364 ASP A 345	ABU A 585 ( 3.9A) LLP A 396 ( 4.9A) LLP A 396 ( 2.6A) None	1.35A	2br4B-2okkA: 2.5	2br4B-2okkA: 18.81
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.	2YGO_A_PCFA1213_0 (WNT INHIBITORY FACTOR 1)	4m3c	LECTIN BETA CHAIN (Butea monosperma)	5 / 12	LEU B 204 ILE B 210 ILE B 57 ILE B 59 VAL B 198	None None ABU B 303 (-3.7A) None None	0.96A	2ygoA-4m3cB: undetectable	2ygoA-4m3cB: 20.08
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.	3I45_A_NIOA500_1 (TWIN-ARGININE TRANSLOCATION PATHWAY SIGNAL PROTEIN)	6d6u	GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2,GAMMA-AMINOBU TYRIC ACID RECEPTOR SUBUNIT BETA-2 (Homo sapiens)	4 / 8	LEU B 118 TYR A 97 TYR A 157 PHE B 65	None None ABU A 405 (-4.4A) ABU A 405 (-4.6A)	0.99A	3i45A-6d6uB: undetectable	3i45A-6d6uB: 12.50
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.	4A6E_A_SAMA1349_0 (HYDROXYINDOLE O-METHYLTRANSFERASE)	4m3c	LECTIN BETA CHAIN (Butea monosperma)	5 / 12	PHE B 70 GLY B 211 ILE B 57 VAL B 208 ALA B 91	None None ABU B 303 (-3.7A) None None	1.11A	4a6eA-4m3cB: undetectable	4a6eA-4m3cB: 19.67
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.	4YV5_A_SVRA205_1 (BASIC PHOSPHOLIPASE A2 HOMOLOG 2)	4euo	ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE) (Agrobacterium fabrum)	4 / 7	ASN A 313 TYR A 123 TYR A 284 LEU A 303	None ABU A 404 ( 4.0A) ABU A 404 (-4.5A) None	1.24A	4yv5A-4euoA: undetectable	4yv5A-4euoA: 17.50
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.	5HFJ_B_SAMB301_0 (ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA))	6d6u	GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 (Homo sapiens)	5 / 12	ALA B 182 THR B 130 GLN B 68 PHE B 46 THR B 43	None ABU A 405 (-3.1A) None None None	1.29A	5hfjB-6d6uB: undetectable	5hfjB-6d6uB: 21.23
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.	5HFJ_C_SAMC301_0 (ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA))	6d6u	GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 (Homo sapiens)	5 / 12	ALA B 182 THR B 130 GLN B 68 PHE B 46 THR B 43	None ABU A 405 (-3.1A) None None None	1.25A	5hfjC-6d6uB: undetectable	5hfjC-6d6uB: 21.23
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.	5HFJ_G_SAMG301_0 (ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA))	6d6u	GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 (Homo sapiens)	5 / 12	ALA B 182 THR B 130 GLN B 68 PHE B 46 THR B 43	None ABU A 405 (-3.1A) None None None	1.24A	5hfjG-6d6uB: undetectable	5hfjG-6d6uB: 21.23
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.	5HFJ_H_SAMH301_0 (ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA))	6dw1	- (-)	5 / 12	ALA C 181 THR C 129 GLN C 67 PHE C 45 THR C 42	None ABU C 405 (-2.7A) None None None	1.23A	5hfjH-6dw1C: undetectable	5hfjH-6dw1C: undetectable
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.	5T0K_A_SAMA1304_0 (HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2)	4euo	ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE) (Agrobacterium fabrum)	5 / 12	GLY A 203 TRP A 159 TYR A 123 PHE A 121 GLN A 208	None GOL A 401 (-3.7A) ABU A 404 ( 4.0A) ABU A 404 (-4.8A) None	1.26A	5t0kA-4euoA: undetectable	5t0kA-4euoA: 20.51
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.	5T0K_B_SAMB1304_0 (HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2)	4euo	ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE) (Agrobacterium fabrum)	5 / 12	GLY A 203 TRP A 159 TYR A 123 PHE A 121 GLN A 208	None GOL A 401 (-3.7A) ABU A 404 ( 4.0A) ABU A 404 (-4.8A) None	1.25A	5t0kB-4euoA: undetectable	5t0kB-4euoA: 20.51
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.	5T0M_B_SAMB1205_0 (HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2)	4euo	ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE) (Agrobacterium fabrum)	5 / 12	GLY A 203 TRP A 159 TYR A 123 PHE A 121 GLN A 208	None GOL A 401 (-3.7A) ABU A 404 ( 4.0A) ABU A 404 (-4.8A) None	1.21A	5t0mB-4euoA: undetectable	5t0mB-4euoA: 20.51
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.	5VSE_A_SAMA1505_0 (HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2)	4euo	ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE) (Agrobacterium fabrum)	5 / 12	GLY A 203 TRP A 159 TYR A 123 PHE A 121 GLN A 208	None GOL A 401 (-3.7A) ABU A 404 ( 4.0A) ABU A 404 (-4.8A) None	1.22A	5vseA-4euoA: undetectable	5vseA-4euoA: 20.23
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.	5VSE_B_SAMB1505_0 (HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2)	4euo	ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE) (Agrobacterium fabrum)	5 / 12	GLY A 203 TRP A 159 TYR A 123 PHE A 121 GLN A 208	None GOL A 401 (-3.7A) ABU A 404 ( 4.0A) ABU A 404 (-4.8A) None	1.22A	5vseB-4euoA: undetectable	5vseB-4euoA: 20.23
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.	6D6T_D_FYPD406_0 (GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 HUMAN GABA-A RECEPTOR SUBUNIT GAMMA-2)	6d6u	GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2,GAMMA-AMINOBU TYRIC ACID RECEPTOR SUBUNIT BETA-2 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 (Homo sapiens; Homo sapiens)	7 / 11	TYR A 157 SER A 201 THR A 202 TYR A 205 ASP B 44 PHE B 65 THR B 130	ABU A 405 (-4.4A) None ABU A 405 (-3.1A) ABU A 405 (-3.0A) None ABU A 405 (-4.6A) ABU A 405 (-3.1A)	0.67A	6d6tD-6d6uA: 33.9 6d6tE-6d6uA: 27.2	6d6tD-6d6uA: undetectable 6d6tE-6d6uA: undetectable
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.	6D6U_D_FYPD410_0 (GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT GAMMA-2,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT GAMMA-2)	6d6u	GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2,GAMMA-AMINOBU TYRIC ACID RECEPTOR SUBUNIT BETA-2 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOB UTYRIC ACID RECEPTOR SUBUNIT ALPHA-1 (Homo sapiens; Homo sapiens)	5 / 9	TYR A 157 SER A 201 TYR A 205 ASP B 44 THR B 130	ABU A 405 (-4.4A) None ABU A 405 (-3.0A) None ABU A 405 (-3.1A)	0.81A	6d6uD-6d6uA: 19.5 6d6uE-6d6uA: 17.6	6d6uD-6d6uA: undetectable 6d6uE-6d6uA: undetectable

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2AVD_A_SAMA501_0","CATECHOL-O-METHYLTRANSFERASE","4euo","ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE)","Agrobacterium fabrum",5,"GLY A  83;TYR A 116;SER A 117;ALA A 246;TYR A 123","None;None;None;None;ABU A 404 ( 4.0A)","1.41A","2avdA-4euoA:undetectable",null],["2BR4_B_SAMB301_1","CEPHALOSPORIN HYDROXYLASE CMCI","2okk","GLUTAMATE DECARBOXYLASE 2","Homo sapiens",4,"LEU A 182;SER A 405;ASP A 364;ASP A 345","ABU A 585 ( 3.9A);LLP A 396 ( 4.9A);LLP A 396 ( 2.6A);None","1.35A","2br4B-2okkA:2.5","2avdA-4euoA:18.60"],["2YGO_A_PCFA1213_0","WNT INHIBITORY FACTOR 1","4m3c","LECTIN BETA CHAIN","Butea monosperma",5,"LEU B 204;ILE B 210;ILE B  57;ILE B  59;VAL B 198","None;None;ABU B 303 (-3.7A);None;None","0.96A","2ygoA-4m3cB:undetectable","2br4B-2okkA:18.81"],["3I45_A_NIOA500_1","TWIN-ARGININE TRANSLOCATION PATHWAY SIGNAL PROTEIN","6d6u","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1;GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2","Homo sapiens",4,"LEU B 118;TYR A  97;TYR A 157;PHE B  65","None;None;ABU A 405 (-4.4A);ABU A 405 (-4.6A)","0.99A","3i45A-6d6uB:undetectable","2ygoA-4m3cB:20.08"],["4A6E_A_SAMA1349_0","HYDROXYINDOLE O-METHYLTRANSFERASE","4m3c","LECTIN BETA CHAIN","Butea monosperma",5,"PHE B  70;GLY B 211;ILE B  57;VAL B 208;ALA B  91","None;None;ABU B 303 (-3.7A);None;None","1.11A","4a6eA-4m3cB:undetectable","3i45A-6d6uB:12.50"],["4YV5_A_SVRA205_1","BASIC PHOSPHOLIPASE A2 HOMOLOG 2","4euo","ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE)","Agrobacterium fabrum",4,"ASN A 313;TYR A 123;TYR A 284;LEU A 303","None;ABU A 404 ( 4.0A);ABU A 404 (-4.5A);None","1.24A","4yv5A-4euoA:undetectable","4a6eA-4m3cB:19.67"],["5HFJ_B_SAMB301_0","ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA)","6d6u","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1","Homo sapiens",5,"ALA B 182;THR B 130;GLN B  68;PHE B  46;THR B  43","None;ABU A 405 (-3.1A);None;None;None","1.29A","5hfjB-6d6uB:undetectable","4yv5A-4euoA:17.50"],["5HFJ_C_SAMC301_0","ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA)","6d6u","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1","Homo sapiens",5,"ALA B 182;THR B 130;GLN B  68;PHE B  46;THR B  43","None;ABU A 405 (-3.1A);None;None;None","1.25A","5hfjC-6d6uB:undetectable","5hfjB-6d6uB:21.23"],["5HFJ_G_SAMG301_0","ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA)","6d6u","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1","Homo sapiens",5,"ALA B 182;THR B 130;GLN B  68;PHE B  46;THR B  43","None;ABU A 405 (-3.1A);None;None;None","1.24A","5hfjG-6d6uB:undetectable","5hfjC-6d6uB:21.23"],["5HFJ_H_SAMH301_0","ADENINE SPECIFIC DNA METHYLTRANSFERASE (DPNA)","6dw1","-","-",5,"ALA C 181;THR C 129;GLN C  67;PHE C  45;THR C  42","None;ABU C 405 (-2.7A);None;None;None","1.23A","5hfjH-6dw1C:undetectable","5hfjG-6d6uB:21.23"],["5T0K_A_SAMA1304_0","HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2","4euo","ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE)","Agrobacterium fabrum",5,"GLY A 203;TRP A 159;TYR A 123;PHE A 121;GLN A 208","None;GOL A 401 (-3.7A);ABU A 404 ( 4.0A);ABU A 404 (-4.8A);None","1.26A","5t0kA-4euoA:undetectable","5hfjH-6dw1C:undetectable"],["5T0K_B_SAMB1304_0","HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2","4euo","ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE)","Agrobacterium fabrum",5,"GLY A 203;TRP A 159;TYR A 123;PHE A 121;GLN A 208","None;GOL A 401 (-3.7A);ABU A 404 ( 4.0A);ABU A 404 (-4.8A);None","1.25A","5t0kB-4euoA:undetectable","5t0kA-4euoA:20.51"],["5T0M_B_SAMB1205_0","HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2","4euo","ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE)","Agrobacterium fabrum",5,"GLY A 203;TRP A 159;TYR A 123;PHE A 121;GLN A 208","None;GOL A 401 (-3.7A);ABU A 404 ( 4.0A);ABU A 404 (-4.8A);None","1.21A","5t0mB-4euoA:undetectable","5t0kB-4euoA:20.51"],["5VSE_A_SAMA1505_0","HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2","4euo","ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE)","Agrobacterium fabrum",5,"GLY A 203;TRP A 159;TYR A 123;PHE A 121;GLN A 208","None;GOL A 401 (-3.7A);ABU A 404 ( 4.0A);ABU A 404 (-4.8A);None","1.22A","5vseA-4euoA:undetectable","5t0mB-4euoA:20.51"],["5VSE_B_SAMB1505_0","HISTONE-LYSINE N-METHYLTRANSFERASE EHMT2","4euo","ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN (POLYAMINE)","Agrobacterium fabrum",5,"GLY A 203;TRP A 159;TYR A 123;PHE A 121;GLN A 208","None;GOL A 401 (-3.7A);ABU A 404 ( 4.0A);ABU A 404 (-4.8A);None","1.22A","5vseB-4euoA:undetectable","5vseA-4euoA:20.23"],["6D6T_D_FYPD406_0","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1;HUMAN GABA-A RECEPTOR SUBUNIT GAMMA-2","6d6u","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2;GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1","Homo sapiens;Homo sapiens",7,"TYR A 157;SER A 201;THR A 202;TYR A 205;ASP B  44;PHE B  65;THR B 130","ABU A 405 (-4.4A);None;ABU A 405 (-3.1A);ABU A 405 (-3.0A);None;ABU A 405 (-4.6A);ABU A 405 (-3.1A)","0.67A","6d6tD-6d6uA:33.9;6d6tE-6d6uA:27.2","5vseB-4euoA:20.23"],["6D6U_D_FYPD410_0","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1;GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT GAMMA-2,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT GAMMA-2","6d6u","GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2;GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1,GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1","Homo sapiens;Homo sapiens",5,"TYR A 157;SER A 201;TYR A 205;ASP B  44;THR B 130","ABU A 405 (-4.4A);None;ABU A 405 (-3.0A);None;ABU A 405 (-3.1A)","0.81A","6d6uD-6d6uA:19.5;6d6uE-6d6uA:17.6","6d6tD-6d6uA:undetectable;6d6tE-6d6uA:undetectable"]]