SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4cnl'

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.	1GMK_A_DVAA6_0 (GRAMICIDIN A)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	3 / 3	ALA A 264 VAL A 262 TRP A 254	None	1.02A	1gmkA-4cnlA: undetectable 1gmkB-4cnlA: undetectable	1gmkA-4cnlA: 4.52 1gmkB-4cnlA: 4.52
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.	1GRM_A_DVAA6_0 (GRAMICIDIN A)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	3 / 3	ALA A 222 VAL A 215 TRP A 214	None None CHT A1275 (-3.5A)	0.93A	1grmA-4cnlA: undetectable	1grmA-4cnlA: 4.52
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.	1GRM_B_DVAB6_0 (GRAMICIDIN A)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	3 / 3	ALA A 222 VAL A 215 TRP A 214	None None CHT A1275 (-3.5A)	0.93A	1grmB-4cnlA: undetectable	1grmB-4cnlA: 4.52
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.	2WM3_A_NFLA1301_1 (NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	4 / 6	LEU A 226 THR A 227 LEU A 243 ASP A 217	None GOL A1282 (-4.0A) None None	1.14A	2wm3A-4cnlA: undetectable	2wm3A-4cnlA: 20.93
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.	2X8O_A_OINA1317_1 (CHOLINE-BINDING PROTEIN F)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	4 / 4	TRP A 96 TRP A 103 TYR A 121 MET A 129	CHT A1276 (-3.3A) CHT A1276 ( 3.9A) CHT A1276 ( 3.8A) CHT A1276 ( 3.7A)	0.60A	2x8oA-4cnlA: 10.9	2x8oA-4cnlA: 29.15
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.	2X8O_A_OINA1317_1 (CHOLINE-BINDING PROTEIN F)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	4 / 4	TRP A 134 TRP A 143 TYR A 161 MET A 169	CHT A1280 (-3.4A) CHT A1280 ( 3.7A) CHT A1280 (-3.6A) CHT A1280 (-3.6A)	0.77A	2x8oA-4cnlA: 10.9	2x8oA-4cnlA: 29.15
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.	2X8O_A_OINA1317_1 (CHOLINE-BINDING PROTEIN F)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	4 / 4	TRP A 174 TRP A 183 TYR A 201 MET A 209	CHT A1274 (-3.2A) CHT A1274 (-3.6A) CHT A1274 (-3.5A) CHT A1274 (-3.4A)	0.73A	2x8oA-4cnlA: 10.9	2x8oA-4cnlA: 29.15
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.	2X8O_A_OINA1317_1 (CHOLINE-BINDING PROTEIN F)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	4 / 4	TRP A 214 TRP A 223 TYR A 241 MET A 249	CHT A1275 (-3.5A) CHT A1275 (-3.6A) CHT A1275 (-3.7A) CHT A1275 (-3.6A)	0.78A	2x8oA-4cnlA: 10.9	2x8oA-4cnlA: 29.15
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.	2X8P_A_OINA1313_1 (CHOLINE-BINDING PROTEIN F)	4cnl	PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN (Streptococcus pneumoniae)	4 / 4	TRP A 96 LYS A 98 TRP A 103 TYR A 121	CHT A1276 (-3.3A) None CHT A1276 ( 3.9A) CHT A1276 ( 3.8A)	0.73A	2x8pA-4cnlA: 11.7	2x8pA-4cnlA: 29.15

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1GMK_A_DVAA6_0","GRAMICIDIN A","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",3,"ALA A 264;VAL A 262;TRP A 254","None","1.02A","1gmkA-4cnlA:undetectable;1gmkB-4cnlA:undetectable","1gmkA-4cnlA:4.52;1gmkB-4cnlA:4.52"],["1GRM_A_DVAA6_0","GRAMICIDIN A","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",3,"ALA A 222;VAL A 215;TRP A 214","None;None;CHT A1275 (-3.5A)","0.93A","1grmA-4cnlA:undetectable","1grmA-4cnlA:4.52"],["1GRM_B_DVAB6_0","GRAMICIDIN A","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",3,"ALA A 222;VAL A 215;TRP A 214","None;None;CHT A1275 (-3.5A)","0.93A","1grmB-4cnlA:undetectable","1grmB-4cnlA:4.52"],["2WM3_A_NFLA1301_1","NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",4,"LEU A 226;THR A 227;LEU A 243;ASP A 217","None;GOL A1282 (-4.0A);None;None","1.14A","2wm3A-4cnlA:undetectable","2wm3A-4cnlA:20.93"],["2X8O_A_OINA1317_1","CHOLINE-BINDING PROTEIN F","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",4,"TRP A  96;TRP A 103;TYR A 121;MET A 129","CHT A1276 (-3.3A);CHT A1276 ( 3.9A);CHT A1276 ( 3.8A);CHT A1276 ( 3.7A)","0.60A","2x8oA-4cnlA:10.9","2x8oA-4cnlA:29.15"],["2X8O_A_OINA1317_1","CHOLINE-BINDING PROTEIN F","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",4,"TRP A 134;TRP A 143;TYR A 161;MET A 169","CHT A1280 (-3.4A);CHT A1280 ( 3.7A);CHT A1280 (-3.6A);CHT A1280 (-3.6A)","0.77A","2x8oA-4cnlA:10.9","2x8oA-4cnlA:29.15"],["2X8O_A_OINA1317_1","CHOLINE-BINDING PROTEIN F","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",4,"TRP A 174;TRP A 183;TYR A 201;MET A 209","CHT A1274 (-3.2A);CHT A1274 (-3.6A);CHT A1274 (-3.5A);CHT A1274 (-3.4A)","0.73A","2x8oA-4cnlA:10.9","2x8oA-4cnlA:29.15"],["2X8O_A_OINA1317_1","CHOLINE-BINDING PROTEIN F","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",4,"TRP A 214;TRP A 223;TYR A 241;MET A 249","CHT A1275 (-3.5A);CHT A1275 (-3.6A);CHT A1275 (-3.7A);CHT A1275 (-3.6A)","0.78A","2x8oA-4cnlA:10.9","2x8oA-4cnlA:29.15"],["2X8P_A_OINA1313_1","CHOLINE-BINDING PROTEIN F","4cnl","PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN","Streptococcus pneumoniae",4,"TRP A  96;LYS A  98;TRP A 103;TYR A 121","CHT A1276 (-3.3A);None;CHT A1276 ( 3.9A);CHT A1276 ( 3.8A)","0.73A","2x8pA-4cnlA:11.7","2x8pA-4cnlA:29.15"]]