SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4roq'

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.	1E7C_A_HLTA4001_1 (SERUM ALBUMIN)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 5	ARG A 15 LYS A 317 ALA A 320 ASP A 37	None	1.17A	1e7cA-4roqA: undetectable	1e7cA-4roqA: 18.74
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.	2XCT_H_CPFH1020_1 (DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	3 / 3	ARG A 76 GLU A 44 SER A 154	MG A 401 ( 4.7A) MG A 401 ( 3.9A) None	0.89A	2xctD-4roqA: 2.6	2xctD-4roqA: 20.00
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.	3B0W_A_DGXA1_1 (NUCLEAR RECEPTOR ROR-GAMMA)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	5 / 12	LEU A 41 MET A 101 VAL A 38 CYH A 217 LEU A 222	None	1.28A	3b0wA-4roqA: undetectable	3b0wA-4roqA: 20.97
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.	3IJX_H_HCZH800_1 (GLUTAMATE RECEPTOR 2)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 5	PRO A 25 SER A 23 LEU A 66 SER A 31	None	1.48A	3ijxH-4roqA: undetectable	3ijxH-4roqA: 21.87
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.	3L2U_A_ELVA397_1 (INTEGRASE)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 5	ASP A 167 ASP A 45 PRO A 105 GLU A 140	MG A 401 ( 3.1A) MG A 401 (-2.6A) None MG A 401 (-2.5A)	1.28A	3l2uA-4roqA: undetectable	3l2uA-4roqA: 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.	3L2W_A_ELVA397_1 (INTEGRASE)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 5	ASP A 167 ASP A 45 PRO A 105 GLU A 140	MG A 401 ( 3.1A) MG A 401 (-2.6A) None MG A 401 (-2.5A)	1.30A	3l2wA-4roqA: undetectable	3l2wA-4roqA: 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.	3THR_A_C2FA1100_0 (GLYCINE N-METHYLTRANSFERASE)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 6	LEU A 99 MET A 74 THR A 72 ARG A 12	None	1.42A	3thrB-4roqA: undetectable	3thrB-4roqA: 22.22
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.	3TL9_A_ROCA401_4 (PROTEASE)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 4	ASP A 234 ASP A 231 GLY A 180 THR A 177	None	1.39A	3tl9B-4roqA: undetectable	3tl9B-4roqA: 14.86
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.	3TL9_A_ROCA401_4 (PROTEASE)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 4	ASP A 234 ASP A 231 GLY A 181 THR A 177	None	1.28A	3tl9B-4roqA: undetectable	3tl9B-4roqA: 14.86
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.	4MJ8_A_SPMA201_1 (SPERMIDINE N1-ACETYLTRANSFERASE)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 8	MET A 101 GLU A 159 GLU A 251 TYR A 220	None	1.18A	4mj8A-4roqA: undetectable 4mj8C-4roqA: undetectable	4mj8A-4roqA: 18.40 4mj8C-4roqA: 18.40
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.	4XK8_A_PQNA845_1 (PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 8	PHE A 250 ARG A 223 ALA A 160 GLY A 252	None	1.00A	4xk8a-4roqA: undetectable	4xk8a-4roqA: 18.57
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.	5DZK_O_BEZO801_0 (ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 BEZ-LEU-LEU)	4roq	MALYL-COA LYASE/BETA-METHYLMAL YL-COA LYASE (Methylobacterium extorquens)	4 / 6	PHE A 250 SER A 162 PRO A 224 MET A 213	None	1.45A	5dzka-4roqA: 2.9 5dzko-4roqA: undetectable	5dzka-4roqA: 24.93 5dzko-4roqA: 15.38

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1E7C_A_HLTA4001_1","SERUM ALBUMIN","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"ARG A  15;LYS A 317;ALA A 320;ASP A  37","None","1.17A","1e7cA-4roqA:undetectable","1e7cA-4roqA:18.74"],["2XCT_H_CPFH1020_1","DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",3,"ARG A  76;GLU A  44;SER A 154"," MG A 401 ( 4.7A); MG A 401 ( 3.9A);None","0.89A","2xctD-4roqA:2.6","2xctD-4roqA:20.00"],["3B0W_A_DGXA1_1","NUCLEAR RECEPTOR ROR-GAMMA","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",5,"LEU A  41;MET A 101;VAL A  38;CYH A 217;LEU A 222","None","1.28A","3b0wA-4roqA:undetectable","3b0wA-4roqA:20.97"],["3IJX_H_HCZH800_1","GLUTAMATE RECEPTOR 2","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"PRO A  25;SER A  23;LEU A  66;SER A  31","None","1.48A","3ijxH-4roqA:undetectable","3ijxH-4roqA:21.87"],["3L2U_A_ELVA397_1","INTEGRASE","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"ASP A 167;ASP A  45;PRO A 105;GLU A 140"," MG A 401 ( 3.1A); MG A 401 (-2.6A);None; MG A 401 (-2.5A)","1.28A","3l2uA-4roqA:undetectable","3l2uA-4roqA:22.83"],["3L2W_A_ELVA397_1","INTEGRASE","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"ASP A 167;ASP A  45;PRO A 105;GLU A 140"," MG A 401 ( 3.1A); MG A 401 (-2.6A);None; MG A 401 (-2.5A)","1.30A","3l2wA-4roqA:undetectable","3l2wA-4roqA:22.83"],["3THR_A_C2FA1100_0","GLYCINE N-METHYLTRANSFERASE","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"LEU A  99;MET A  74;THR A  72;ARG A  12","None","1.42A","3thrB-4roqA:undetectable","3thrB-4roqA:22.22"],["3TL9_A_ROCA401_4","PROTEASE;PROTEASE","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"ASP A 234;ASP A 231;GLY A 180;THR A 177","None","1.39A","3tl9B-4roqA:undetectable","3tl9B-4roqA:14.86"],["3TL9_A_ROCA401_4","PROTEASE;PROTEASE","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"ASP A 234;ASP A 231;GLY A 181;THR A 177","None","1.28A","3tl9B-4roqA:undetectable","3tl9B-4roqA:14.86"],["4MJ8_A_SPMA201_1","SPERMIDINE N1-ACETYLTRANSFERASE;SPERMIDINE N1-ACETYLTRANSFERASE","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"MET A 101;GLU A 159;GLU A 251;TYR A 220","None","1.18A","4mj8A-4roqA:undetectable;4mj8C-4roqA:undetectable","4mj8A-4roqA:18.40;4mj8C-4roqA:18.40"],["4XK8_A_PQNA845_1","PHOTOSYSTEM I P700 CHLOROPHYLL A APOPROTEIN A1","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"PHE A 250;ARG A 223;ALA A 160;GLY A 252","None","1.00A","4xk8a-4roqA:undetectable","4xk8a-4roqA:18.57"],["5DZK_O_BEZO801_0","ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2;BEZ-LEU-LEU","4roq","MALYL-COA LYASE\/BETA-METHYLMALYL-COA LYASE","Methylobacterium extorquens",4,"PHE A 250;SER A 162;PRO A 224;MET A 213","None","1.45A","5dzka-4roqA:2.9;5dzko-4roqA:undetectable","5dzka-4roqA:24.93;5dzko-4roqA:15.38"]]