SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'FER'

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.	3S68_A_SAMA228_0 (CATECHOL O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	5 / 10	MET A 42 GLU A 66 GLY A 68 SER A 74 ASP A 143	FER A 501 (-3.7A) SAH A 301 ( 4.4A) SAH A 301 (-3.7A) SAH A 301 (-2.9A) MG A 401 ( 2.7A)	0.37A	3s68A-3cbgA: 21.5	3s68A-3cbgA: 25.51
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.	3S68_A_TCWA227_1 (CATECHOL O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	5 / 10	MET A 42 ASP A 143 LYS A 146 ASP A 169 ASN A 170	FER A 501 (-3.7A) MG A 401 ( 2.7A) 4FE A 502 ( 2.6A) MG A 401 (-3.4A) MG A 401 (-2.5A)	0.36A	3s68A-3cbgA: 21.6	3s68A-3cbgA: 25.51
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.	3SUF_B_SUEB1201_1 (NS3 PROTEASE, NS4A PROTEIN)	2wtn	EST1E (Butyrivibrio proteoclasticus)	5 / 12	VAL A 200 HIS A 225 ASP A 197 GLY A 32 SER A 105	None GOL A1249 ( 4.8A) None GOL A1249 ( 3.3A) FER A1250 ( 2.3A)	0.96A	3sufB-2wtnA: undetectable	3sufB-2wtnA: 21.72
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.	3SUF_B_SUEB1201_1 (NS3 PROTEASE, NS4A PROTEIN)	2wtn	EST1E (Butyrivibrio proteoclasticus)	6 / 12	VAL A 200 HIS A 225 ASP A 197 ILE A 42 GLY A 107 SER A 105	None GOL A1249 ( 4.8A) None None None FER A1250 ( 2.3A)	1.40A	3sufB-2wtnA: undetectable	3sufB-2wtnA: 21.72
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.	4PYL_A_TCWA303_1 (CATECHOL O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	5 / 10	MET A 42 ASP A 143 LYS A 146 ASP A 169 ASN A 170	FER A 501 (-3.7A) MG A 401 ( 2.7A) 4FE A 502 ( 2.6A) MG A 401 (-3.4A) MG A 401 (-2.5A)	0.31A	4pylA-3cbgA: 22.2	4pylA-3cbgA: 25.51
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.	5HRQ_K_IPHK101_0 (INSULIN A-CHAIN INSULIN B-CHAIN)	4rgu	REPRESSOR PROTEIN (Acinetobacter sp. ADP1)	4 / 6	VAL A 118 CYH A 114 HIS A 35 LEU A 36	FER A 201 (-4.5A) None None None	1.45A	5hrqH-4rguA: undetectable 5hrqK-4rguA: undetectable 5hrqL-4rguA: undetectable	5hrqH-4rguA: 9.20 5hrqK-4rguA: 9.32 5hrqL-4rguA: 9.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5KVA_A_SAMA301_0 (CAFFEOYL-COA O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	9 / 12	MET A 42 GLU A 66 GLY A 68 TYR A 73 ALA A 121 ASP A 143 ALA A 144 ASP A 145 TYR A 152	FER A 501 (-3.7A) SAH A 301 ( 4.4A) SAH A 301 (-3.7A) None SAH A 301 (-3.4A) MG A 401 ( 2.7A) SAH A 301 (-3.4A) SAH A 301 (-3.5A) None	0.62A	5kvaA-3cbgA: 30.3	5kvaA-3cbgA: 38.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5KVA_B_SAMB301_0 (CAFFEOYL-COA O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	9 / 12	MET A 42 GLU A 66 GLY A 68 TYR A 73 ALA A 121 ASP A 143 ALA A 144 ASP A 145 TYR A 152	FER A 501 (-3.7A) SAH A 301 ( 4.4A) SAH A 301 (-3.7A) None SAH A 301 (-3.4A) MG A 401 ( 2.7A) SAH A 301 (-3.4A) SAH A 301 (-3.5A) None	0.67A	5kvaB-3cbgA: 30.1	5kvaB-3cbgA: 38.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5LOG_A_LDPA1004_1 (PUTATIVE O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	6 / 6	MET A 42 ASP A 143 LYS A 146 ASP A 169 ASN A 170 TRP A 173	FER A 501 (-3.7A) MG A 401 ( 2.7A) 4FE A 502 ( 2.6A) MG A 401 (-3.4A) MG A 401 (-2.5A) None	0.34A	5logA-3cbgA: 31.8	5logA-3cbgA: 46.44
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.	5VW9_A_NCAA403_0 (FERREDOXIN--NADP REDUCTASE)	2wtn	EST1E (Butyrivibrio proteoclasticus)	4 / 8	THR A 34 GLY A 35 GLY A 32 SER A 105	FER A1250 (-3.5A) GOL A1249 ( 4.0A) GOL A1249 ( 3.3A) FER A1250 ( 2.3A)	0.65A	5vw9A-2wtnA: 2.4	5vw9A-2wtnA: 20.99
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.	6N91_A_DCFA401_0 (ADENOSINE DEAMINASE)	2wtn	EST1E (Butyrivibrio proteoclasticus)	5 / 12	ASP A 197 LEU A 143 LEU A 144 SER A 105 ALA A 131	None None FER A1250 ( 4.2A) FER A1250 ( 2.3A) FER A1250 ( 3.9A)	1.33A	6n91A-2wtnA: 2.7	6n91A-2wtnA: 17.81

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3S68_A_SAMA228_0","CATECHOL O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",5,"MET A  42;GLU A  66;GLY A  68;SER A  74;ASP A 143","FER A 501 (-3.7A);SAH A 301 ( 4.4A);SAH A 301 (-3.7A);SAH A 301 (-2.9A); MG A 401 ( 2.7A)","0.37A","3s68A-3cbgA:21.5",null],["3S68_A_TCWA227_1","CATECHOL O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",5,"MET A  42;ASP A 143;LYS A 146;ASP A 169;ASN A 170","FER A 501 (-3.7A); MG A 401 ( 2.7A);4FE A 502 ( 2.6A); MG A 401 (-3.4A); MG A 401 (-2.5A)","0.36A","3s68A-3cbgA:21.6","3s68A-3cbgA:25.51"],["3SUF_B_SUEB1201_1","NS3 PROTEASE, NS4A PROTEIN","2wtn","EST1E","Butyrivibrio proteoclasticus",5,"VAL A 200;HIS A 225;ASP A 197;GLY A  32;SER A 105","None;GOL A1249 ( 4.8A);None;GOL A1249 ( 3.3A);FER A1250 ( 2.3A)","0.96A","3sufB-2wtnA:undetectable","3s68A-3cbgA:25.51"],["3SUF_B_SUEB1201_1","NS3 PROTEASE, NS4A PROTEIN","2wtn","EST1E","Butyrivibrio proteoclasticus",6,"VAL A 200;HIS A 225;ASP A 197;ILE A  42;GLY A 107;SER A 105","None;GOL A1249 ( 4.8A);None;None;None;FER A1250 ( 2.3A)","1.40A","3sufB-2wtnA:undetectable","3sufB-2wtnA:21.72"],["4PYL_A_TCWA303_1","CATECHOL O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",5,"MET A  42;ASP A 143;LYS A 146;ASP A 169;ASN A 170","FER A 501 (-3.7A); MG A 401 ( 2.7A);4FE A 502 ( 2.6A); MG A 401 (-3.4A); MG A 401 (-2.5A)","0.31A","4pylA-3cbgA:22.2","3sufB-2wtnA:21.72"],["5HRQ_K_IPHK101_0","INSULIN A-CHAIN;INSULIN B-CHAIN","4rgu","REPRESSOR PROTEIN","Acinetobacter sp. ADP1",4,"VAL A 118;CYH A 114;HIS A  35;LEU A  36","FER A 201 (-4.5A);None;None;None","1.45A","5hrqH-4rguA:undetectable;5hrqK-4rguA:undetectable;5hrqL-4rguA:undetectable","4pylA-3cbgA:25.51"],["5KVA_A_SAMA301_0","CAFFEOYL-COA O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",9,"MET A  42;GLU A  66;GLY A  68;TYR A  73;ALA A 121;ASP A 143;ALA A 144;ASP A 145;TYR A 152","FER A 501 (-3.7A);SAH A 301 ( 4.4A);SAH A 301 (-3.7A);None;SAH A 301 (-3.4A); MG A 401 ( 2.7A);SAH A 301 (-3.4A);SAH A 301 (-3.5A);None","0.62A","5kvaA-3cbgA:30.3","5hrqH-4rguA:9.20;5hrqK-4rguA:9.32;5hrqL-4rguA:9.20"],["5KVA_B_SAMB301_0","CAFFEOYL-COA O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",9,"MET A  42;GLU A  66;GLY A  68;TYR A  73;ALA A 121;ASP A 143;ALA A 144;ASP A 145;TYR A 152","FER A 501 (-3.7A);SAH A 301 ( 4.4A);SAH A 301 (-3.7A);None;SAH A 301 (-3.4A); MG A 401 ( 2.7A);SAH A 301 (-3.4A);SAH A 301 (-3.5A);None","0.67A","5kvaB-3cbgA:30.1","5kvaA-3cbgA:38.16"],["5LOG_A_LDPA1004_1","PUTATIVE O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",6,"MET A  42;ASP A 143;LYS A 146;ASP A 169;ASN A 170;TRP A 173","FER A 501 (-3.7A); MG A 401 ( 2.7A);4FE A 502 ( 2.6A); MG A 401 (-3.4A); MG A 401 (-2.5A);None","0.34A","5logA-3cbgA:31.8","5kvaB-3cbgA:38.16"],["5VW9_A_NCAA403_0","FERREDOXIN--NADP REDUCTASE","2wtn","EST1E","Butyrivibrio proteoclasticus",4,"THR A  34;GLY A  35;GLY A  32;SER A 105","FER A1250 (-3.5A);GOL A1249 ( 4.0A);GOL A1249 ( 3.3A);FER A1250 ( 2.3A)","0.65A","5vw9A-2wtnA:2.4","5logA-3cbgA:46.44"],["6N91_A_DCFA401_0","ADENOSINE DEAMINASE","2wtn","EST1E","Butyrivibrio proteoclasticus",5,"ASP A 197;LEU A 143;LEU A 144;SER A 105;ALA A 131","None;None;FER A1250 ( 4.2A);FER A1250 ( 2.3A);FER A1250 ( 3.9A)","1.33A","6n91A-2wtnA:2.7","5vw9A-2wtnA:20.99"]]