Results: Ligand

Ligand ID: 16A

Drugbank ID:
Cetrimonium
(DB01718)

Indication:
Cetrimonium is a compound that can be used as a topical antiseptic.

LIST OF BINDING INTERFACES for query 'DB01718'
(Click on the 'Details' column to view details on interfaces and similar patterns of amino acids)
Click on the 'View' column to view patterns on the structural viewer)

DrReposER ID	PDB	Ligand	Drug	Organism	Macromolecule	Pfam	Res.	Interface	HETATM	View	Details
1KPG_A_16AA1901	1kpg	16A	Cetrimonium (DB01718)	Mycobacterium tuberculosis	CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1	CMAS	20	TYR A 16 TYR A 33 GLY A 137 GLU A 140 HIS A 141 ILE A 169 PHE A 191 LEU A 192 ILE A 195 VAL A 196 PHE A 200 GLY A 203 ARG A 204 LEU A 205 TYR A 232 LEU A 236 TYR A 265 CYS A 269 PHE A 273 ILE A 278	16A A1901
1TPY_A_16AA1901	1tpy	16A	Cetrimonium (DB01718)	Mycobacterium tuberculosis	METHOXY MYCOLIC ACID SYNTHASE 2	CMAS	19	TYR A 16 TYR A 33 GLY A 137 GLU A 140 HIS A 141 ILE A 169 ILE A 195 PHE A 200 GLY A 203 GLN A 204 PRO A 205 TYR A 232 LEU A 236 TRP A 239 TYR A 265 CYS A 269 LEU A 272 PHE A 273 ILE A 278	16A A1901
3B00_A_16AA300	3b00	16A	Cetrimonium (DB01718)	Thermotoga maritima	LAMINARINASE	Glyco_hydro_16	15	ILE A 40 TRP A 43 GLY A 44 ASN A 45 GLU A 47 ARG A 85 TRP A 112 ALA A 114 TRP A 116 ILE A 122 TRP A 127 GLU A 132 ASP A 134 GLU A 137 HIS A 151	16A A 300
3HF0_A_16AA34	3hf0	16A	Cetrimonium (DB01718)	NA	GCN4-PLI SIDE CHAIN SEQUENCE ON AN (ALPHA-ALPHA-BETA-ALPHA-BETA-ALPHA-BETA) BACKBONE WITH CYCLIC BETA-RESIDUES	NA	5	GLN A 4 GLU A 6 LEU A 9 LEU A 13 GLU A 20	16A A 34
3P73_A_16AA274	3p73	16A	Cetrimonium (DB01718)	Gallus gallus	MHC RFP-Y CLASS I ALPHA CHAIN	C1-set MHC_I	23	TYR A 7 LEU A 9 ILE A 24 GLY A 26 PHE A 33 GLY A 34 THR A 35 TYR A 36 ALA A 43 TRP A 58 GLN A 61 LYS A 64 ALA A 65 GLY A 68 ASP A 71 PHE A 72 ASN A 75 MET A 94 PHE A 96 TYR A 112 TRP A 143 TYR A 149 TRP A 153	16A A 274
5HXW_A_16AA502	5hxw	16A	Cetrimonium (DB01718)	Proteus vulgaris	L-AMINO ACID DEAMINASE	DAO	6	ILE D 352 ILE A 352 PHE A 355 MET A 356 GLN A 357 SER A 358	16A A 502
5HXW_A_16AA503	5hxw	16A	Cetrimonium (DB01718)	Proteus vulgaris	L-AMINO ACID DEAMINASE	DAO	6	LEU A 347 ASN A 348 GLU A 349 LEU A 351 ILE A 352 PHE A 355	16A A 503
5HXW_A_16AA504	5hxw	16A	Cetrimonium (DB01718)	Proteus vulgaris	L-AMINO ACID DEAMINASE	DAO	17	LEU A 274 PRO A 275 ALA A 276 GLN A 278 ILE A 317 ALA A 319 GLY A 329 TYR A 332 LEU A 333 PHE A 341 VAL A 343 ILE A 345 MET A 411 ILE A 413 GLU A 417 GLY A 437 TRP A 438	16A A 504
6WL5_A_16AA301	6wl5	16A	Cetrimonium (DB01718)	Escherichia coli	ECMRR TRANSCRIPTIONAL REGULATOR	NA	24	GLN B 115 ALA B 116 ALA B 117 PHE A 136 TYR A 169 HIS A 170 ASP A 171 LYS A 172 GLU A 173 TYR A 174 LYS A 175 GLU A 176 MET A 179 TYR A 216 LEU A 219 ARG A 220 TYR A 223 MET A 227 GLU A 231 LEU A 237 SER A 240 PRO A 241 GLU A 243 PHE A 264	16A A 301
6WL5_A_16AA302	6wl5	16A	Cetrimonium (DB01718)	Escherichia coli	ECMRR TRANSCRIPTIONAL REGULATOR	NA	21	PHE D 136 ILE D 140 LYS D 141 ILE D 143 ILE A 143 PRO A 144 PRO D 144 LEU A 159 ALA A 163 CYS A 165 PHE D 183 PHE A 183 GLU A 185 TYR D 216 TYR D 245 TYR A 245 ILE A 246 ILE D 249 ILE A 249 TRP A 250 TRP D 250	16A A 302
6WL5_A_16AA303	6wl5	16A	Cetrimonium (DB01718)	Escherichia coli	ECMRR TRANSCRIPTIONAL REGULATOR	NA	8	LYS D 141 PRO A 144 PRO D 144 GLN A 148 ILE A 246 ASP A 247 TRP A 250 ASN A 251	16A A 303
DrReposER ID	PDB	Ligand	Drug	Organism	Macromolecule	Pfam	Res.	Interface	HETATM	View	Details

[["1KPG_A_16AA1901","1kpg","16A","Cetrimonium (DB01718)","Mycobacterium tuberculosis","CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1","CMAS",20,"TYR A  16;TYR A  33;GLY A 137;GLU A 140;HIS A 141;ILE A 169;PHE A 191;LEU A 192;ILE A 195;VAL A 196;PHE A 200;GLY A 203;ARG A 204;LEU A 205;TYR A 232;LEU A 236;TYR A 265;CYS A 269;PHE A 273;ILE A 278","16A A1901\r"],["1TPY_A_16AA1901","1tpy","16A","Cetrimonium (DB01718)","Mycobacterium tuberculosis","METHOXY MYCOLIC ACID SYNTHASE 2","CMAS",19,"TYR A  16;TYR A  33;GLY A 137;GLU A 140;HIS A 141;ILE A 169;ILE A 195;PHE A 200;GLY A 203;GLN A 204;PRO A 205;TYR A 232;LEU A 236;TRP A 239;TYR A 265;CYS A 269;LEU A 272;PHE A 273;ILE A 278","16A A1901\r"],["3B00_A_16AA300","3b00","16A","Cetrimonium (DB01718)","Thermotoga maritima","LAMINARINASE","Glyco_hydro_16",15,"ILE A  40;TRP A  43;GLY A  44;ASN A  45;GLU A  47;ARG A  85;TRP A 112;ALA A 114;TRP A 116;ILE A 122;TRP A 127;GLU A 132;ASP A 134;GLU A 137;HIS A 151","16A A 300\r"],["3HF0_A_16AA34","3hf0","16A","Cetrimonium (DB01718)","NA","GCN4-PLI SIDE CHAIN SEQUENCE ON AN (ALPHA-ALPHA-BETA-ALPHA-BETA-ALPHA-BETA) BACKBONE WITH CYCLIC BETA-RESIDUES","NA",5,"GLN A   4;GLU A   6;LEU A   9;LEU A  13;GLU A  20","16A A  34\r"],["3P73_A_16AA274","3p73","16A","Cetrimonium (DB01718)","Gallus gallus","MHC RFP-Y CLASS I ALPHA CHAIN","C1-set;MHC_I",23,"TYR A   7;LEU A   9;ILE A  24;GLY A  26;PHE A  33;GLY A  34;THR A  35;TYR A  36;ALA A  43;TRP A  58;GLN A  61;LYS A  64;ALA A  65;GLY A  68;ASP A  71;PHE A  72;ASN A  75;MET A  94;PHE A  96;TYR A 112;TRP A 143;TYR A 149;TRP A 153","16A A 274\r"],["5HXW_A_16AA502","5hxw","16A","Cetrimonium (DB01718)","Proteus vulgaris","L-AMINO ACID DEAMINASE","DAO",6,"ILE D 352;ILE A 352;PHE A 355;MET A 356;GLN A 357;SER A 358","16A A 502\r"],["5HXW_A_16AA503","5hxw","16A","Cetrimonium (DB01718)","Proteus vulgaris","L-AMINO ACID DEAMINASE","DAO",6,"LEU A 347;ASN A 348;GLU A 349;LEU A 351;ILE A 352;PHE A 355","16A A 503\r"],["5HXW_A_16AA504","5hxw","16A","Cetrimonium (DB01718)","Proteus vulgaris","L-AMINO ACID DEAMINASE","DAO",17,"LEU A 274;PRO A 275;ALA A 276;GLN A 278;ILE A 317;ALA A 319;GLY A 329;TYR A 332;LEU A 333;PHE A 341;VAL A 343;ILE A 345;MET A 411;ILE A 413;GLU A 417;GLY A 437;TRP A 438","16A A 504\r"],["6WL5_A_16AA301","6wl5","16A","Cetrimonium (DB01718)","Escherichia coli","ECMRR TRANSCRIPTIONAL REGULATOR","NA",24,"GLN B 115;ALA B 116;ALA B 117;PHE A 136;TYR A 169;HIS A 170;ASP A 171;LYS A 172;GLU A 173;TYR A 174;LYS A 175;GLU A 176;MET A 179;TYR A 216;LEU A 219;ARG A 220;TYR A 223;MET A 227;GLU A 231;LEU A 237;SER A 240;PRO A 241;GLU A 243;PHE A 264","16A A 301\r"],["6WL5_A_16AA302","6wl5","16A","Cetrimonium (DB01718)","Escherichia coli","ECMRR TRANSCRIPTIONAL REGULATOR","NA",21,"PHE D 136;ILE D 140;LYS D 141;ILE D 143;ILE A 143;PRO A 144;PRO D 144;LEU A 159;ALA A 163;CYS A 165;PHE D 183;PHE A 183;GLU A 185;TYR D 216;TYR D 245;TYR A 245;ILE A 246;ILE D 249;ILE A 249;TRP A 250;TRP D 250","16A A 302\r"],["6WL5_A_16AA303","6wl5","16A","Cetrimonium (DB01718)","Escherichia coli","ECMRR TRANSCRIPTIONAL REGULATOR","NA",8,"LYS D 141;PRO A 144;PRO D 144;GLN A 148;ILE A 246;ASP A 247;TRP A 250;ASN A 251","16A A 303\r"]]