SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'C2R'

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.	3DH0_A_SAMA220_1 (SAM DEPENDENT METHYLTRANSFERASE)	2gqs	PHOSPHORIBOSYLAMINOI MIDAZOLE-SUCCINOCARB OXAMIDE SYNTHASE (Escherichia coli)	4 / 8	LYS A 123 ARG A 94 ASP A 36 GLU A 90	ADP A 238 ( 2.7A) C2R A 242 (-3.1A) MG A 240 (-4.6A) MG A 240 ( 2.4A)	1.23A	3dh0A-2gqsA: undetectable	3dh0A-2gqsA: 22.99
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.	4KR4_C_AICC401_1 (OUTER MEMBRANE PROTEIN F)	2gqs	PHOSPHORIBOSYLAMINOI MIDAZOLE-SUCCINOCARB OXAMIDE SYNTHASE (Escherichia coli)	4 / 8	ARG A 199 ASP A 129 GLU A 179 ARG A 215	C2R A 242 (-3.1A) MG A 241 (-2.4A) ADP A 238 ( 3.7A) C2R A 242 (-3.1A)	1.32A	4kr4C-2gqsA: undetectable	4kr4C-2gqsA: 21.71
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.	5IQD_C_RIOC600_0 (BIFUNCTIONAL AAC/APH)	2gqs	PHOSPHORIBOSYLAMINOI MIDAZOLE-SUCCINOCARB OXAMIDE SYNTHASE (Escherichia coli)	5 / 12	SER A 194 ASN A 50 GLU A 192 VAL A 92 GLU A 90	None None None C2R A 242 ( 4.5A) MG A 240 ( 2.4A)	1.36A	5iqdC-2gqsA: 2.4	5iqdC-2gqsA: 22.74

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3DH0_A_SAMA220_1","SAM DEPENDENT METHYLTRANSFERASE","2gqs","PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE","Escherichia coli",4,"LYS A 123;ARG A  94;ASP A  36;GLU A  90","ADP A 238 ( 2.7A);C2R A 242 (-3.1A); MG A 240 (-4.6A); MG A 240 ( 2.4A)","1.23A","3dh0A-2gqsA:undetectable",null],["4KR4_C_AICC401_1","OUTER MEMBRANE PROTEIN F","2gqs","PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE","Escherichia coli",4,"ARG A 199;ASP A 129;GLU A 179;ARG A 215","C2R A 242 (-3.1A); MG A 241 (-2.4A);ADP A 238 ( 3.7A);C2R A 242 (-3.1A)","1.32A","4kr4C-2gqsA:undetectable","3dh0A-2gqsA:22.99"],["5IQD_C_RIOC600_0","BIFUNCTIONAL AAC\/APH","2gqs","PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE","Escherichia coli",5,"SER A 194;ASN A  50;GLU A 192;VAL A  92;GLU A  90","None;None;None;C2R A 242 ( 4.5A); MG A 240 ( 2.4A)","1.36A","5iqdC-2gqsA:2.4","4kr4C-2gqsA:21.71"]]