Results: Ligand

Ligand ID: CFF

Drugbank ID:
Caffeine
(DB00201)

Indication:
Caffeine is a stimulant present in tea, coffee, cola beverages, analgesic drugs, and agents used to increase alertness. It is also used in to prevent and treat pulmonary complications of premature birth.

LIST OF BINDING INTERFACES for query 'DB00201'
(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
1C8L_A_CFFA940	1c8l	CFF	Caffeine (DB00201)	Oryctolagus cuniculus	PROTEIN (GLYCOGEN PHOSPHORYLASE)	Phosphorylase	10	ASN A 282 ASP A 283 ASN A 284 PHE A 285 GLU A 382 HIS A 571 GLU A 572 ALA A 610 GLY A 612 TYR A 613	CFF A 940
2A3B_A_CFFA1433	2a3b	CFF	Caffeine (DB00201)	Aspergillus fumigatus	CHITINASE	Glyco_hydro_18	6	TRP A 137 TYR A 178 MET A 243 TYR A 245 ASP A 246 PHE A 251	CFF A1433
2A3B_A_CFFA1434	2a3b	CFF	Caffeine (DB00201)	Aspergillus fumigatus	CHITINASE	Glyco_hydro_18	4	TRP A 52 PHE A 76 THR A 138 TYR A 139	CFF A1434
2A3B_A_CFFA1435	2a3b	CFF	Caffeine (DB00201)	Aspergillus fumigatus	CHITINASE	Glyco_hydro_18	12	TYR A 48 PHE A 76 GLY A 136 TRP A 137 ASP A 175 GLU A 177 ALA A 217 MET A 243 TYR A 245 ASP A 246 TYR A 299 TRP A 384	CFF A1435
3DDS_A_CFFA904	3dds	CFF	Caffeine (DB00201)	Homo sapiens	GLYCOGEN PHOSPHORYLASE, LIVER FORM	Phosphorylase	10	ASN A 282 ASP A 283 ASN A 284 PHE A 285 GLU A 382 HIS A 571 GLU A 572 ALA A 610 GLY A 612 TYR A 613	CFF A 904
3G6M_A_CFFA1	3g6m	CFF	Caffeine (DB00201)	Bionectria ochroleuca	CHITINASE	Glyco_hydro_18	12	TYR A 46 PHE A 74 GLY A 133 TRP A 134 ASP A 172 GLU A 174 ALA A 214 MET A 240 TYR A 242 ASP A 243 TYR A 296 TRP A 381	CFF A 1
3G6M_A_CFFA427	3g6m	CFF	Caffeine (DB00201)	Bionectria ochroleuca	CHITINASE	Glyco_hydro_18	7	TRP A 134 GLU A 174 TYR A 175 MET A 240 TYR A 242 ASP A 243 TRP A 248	CFF A 427
3RFM_A_CFFA330	3rfm	CFF	Caffeine (DB00201)	Homo sapiens	ADENOSINE RECEPTOR A2A	7tm_1	8	ALA A 63 VAL A 84 PHE A 168 MET A 177 LEU A 249 ASN A 253 MET A 270 ILE A 274	CFF A 330
4Y4D_A_CFFA411	4y4d	CFF	Caffeine (DB00201)	Cryphonectria parasitica	ENDOTHIAPEPSIN	Asp	10	LEU A 13 ASP A 15 THR A 223 LEU A 224 VAL A 248 PHE A 280 GLY A 281 PRO A 282 ILE A 283 PHE A 291	CFF A 411
5MZP_A_CFFA2401	5mzp	CFF	Caffeine (DB00201)	Homo sapiens; escherichia coli	ADENOSINE RECEPTOR A2A,SOLUBLE CYTOCHROME B562,ADENOSINE RECEPTOR A2A	7tm_1 Cytochrom_B562	12	ALA A 63 ILE A 66 VAL A 84 LEU A 85 PHE A 168 GLU A 169 MET A 177 TRP A 246 LEU A 249 ASN A 253 MET A 270 ILE A 274	CFF A2401
6ICN_A_CFFA402	6icn	CFF	Caffeine (DB00201)	Pseudomonas putida	METHYLXANTHINE N1-DEMETHYLASE NDMA	Rieske VanA_C	12	PHE A 168 PHE A 174 LEU A 182 PRO A 219 PHE A 223 LEU A 235 LEU A 248 LEU A 264 PHE A 281 ASN A 282 VAL A 285 PHE A 286	CFF A 402
6QTL_H_CFFH201	6qtl	CFF	Caffeine (DB00201)	Camelidae	VHH	NA	12	TYR H 34 TYR B 34 THR B 101 THR H 101 ARG B 102 ARG H 102 ALA H 103 ALA B 103 TYR H 104 TYR B 104 SER H 105 SER B 105	CFF H 201
6SF9_A_CFFA402	6sf9	CFF	Caffeine (DB00201)	Trypanosoma cruzi	FARNESYL DIPHOSPHATE SYNTHASE	polyprenyl_synt	9	VAL A 252 PHE A 256 TRP A 276 LEU A 277 TYR A 312 SER A 313 LEU A 317 GLN A 318 PHE A 321	CFF A 402
6TV4_A_CFFA616	6tv4	CFF	Caffeine (DB00201)	Homo sapiens	PALMITOLEOYL-PROTEIN CARBOXYLESTERASE NOTUM	PAE	14	TRP A 128 TYR A 129 VAL A 187 SER A 232 ALA A 233 THR A 236 PHE A 268 PRO A 287 ILE A 291 PHE A 319 PHE A 320 ALA A 342 GLN A 343 VAL A 346	CFF A 616
6UG4_A_CFFA201	6ug4	CFF	Caffeine (DB00201)	Bacteroides thetaiotaomicron (strain atcc 29148 / dsm 2079 / nctc 10582 / e50 / vpi-5482)	PUTATIVE RYANODINE RECEPTOR	RyR	10	VAL B 35 HIS B 36 TRP B 39 ARG B 54 HIS B 61 CYS B 63 GLU A 74 ALA A 77 ASP A 78 THR A 81	CFF A 201
6UG4_A_CFFA202	6ug4	CFF	Caffeine (DB00201)	Bacteroides thetaiotaomicron (strain atcc 29148 / dsm 2079 / nctc 10582 / e50 / vpi-5482)	PUTATIVE RYANODINE RECEPTOR	RyR	6	GLU A 74 GLU B 74 ASP B 78 ASP A 78 THR B 81 THR A 81	CFF A 202
6UG4_A_CFFA203	6ug4	CFF	Caffeine (DB00201)	Bacteroides thetaiotaomicron (strain atcc 29148 / dsm 2079 / nctc 10582 / e50 / vpi-5482)	PUTATIVE RYANODINE RECEPTOR	RyR	9	VAL A 35 HIS A 36 TRP A 39 HIS A 61 CYS A 63 GLU B 74 ALA B 77 ASP B 78 THR B 81	CFF A 203
7D7K_A_CFFA402	7d7k	CFF	Caffeine (DB00201)	Severe acute respiratory syndrome coronavirus 2	NON-STRUCTURAL PROTEIN 3	NA	6	TRP A 106 THR A 265 CYS A 270 GLY A 271 HIS A 272 ASP A 286	CFF A 402
DrReposER ID	PDB	Ligand	Drug	Organism	Macromolecule	Pfam	Res.	Interface	HETATM	View	Details

[["1C8L_A_CFFA940","1c8l","CFF","Caffeine (DB00201)","Oryctolagus cuniculus","PROTEIN (GLYCOGEN PHOSPHORYLASE)","Phosphorylase",10,"ASN A 282;ASP A 283;ASN A 284;PHE A 285;GLU A 382;HIS A 571;GLU A 572;ALA A 610;GLY A 612;TYR A 613","CFF A 940\r"],["2A3B_A_CFFA1433","2a3b","CFF","Caffeine (DB00201)","Aspergillus fumigatus","CHITINASE","Glyco_hydro_18",6,"TRP A 137;TYR A 178;MET A 243;TYR A 245;ASP A 246;PHE A 251","CFF A1433\r"],["2A3B_A_CFFA1434","2a3b","CFF","Caffeine (DB00201)","Aspergillus fumigatus","CHITINASE","Glyco_hydro_18",4,"TRP A  52;PHE A  76;THR A 138;TYR A 139","CFF A1434\r"],["2A3B_A_CFFA1435","2a3b","CFF","Caffeine (DB00201)","Aspergillus fumigatus","CHITINASE","Glyco_hydro_18",12,"TYR A  48;PHE A  76;GLY A 136;TRP A 137;ASP A 175;GLU A 177;ALA A 217;MET A 243;TYR A 245;ASP A 246;TYR A 299;TRP A 384","CFF A1435\r"],["3DDS_A_CFFA904","3dds","CFF","Caffeine (DB00201)","Homo sapiens","GLYCOGEN PHOSPHORYLASE, LIVER FORM","Phosphorylase",10,"ASN A 282;ASP A 283;ASN A 284;PHE A 285;GLU A 382;HIS A 571;GLU A 572;ALA A 610;GLY A 612;TYR A 613","CFF A 904\r"],["3G6M_A_CFFA1","3g6m","CFF","Caffeine (DB00201)","Bionectria ochroleuca","CHITINASE","Glyco_hydro_18",12,"TYR A  46;PHE A  74;GLY A 133;TRP A 134;ASP A 172;GLU A 174;ALA A 214;MET A 240;TYR A 242;ASP A 243;TYR A 296;TRP A 381","CFF A   1\r"],["3G6M_A_CFFA427","3g6m","CFF","Caffeine (DB00201)","Bionectria ochroleuca","CHITINASE","Glyco_hydro_18",7,"TRP A 134;GLU A 174;TYR A 175;MET A 240;TYR A 242;ASP A 243;TRP A 248","CFF A 427\r"],["3RFM_A_CFFA330","3rfm","CFF","Caffeine (DB00201)","Homo sapiens","ADENOSINE RECEPTOR A2A","7tm_1",8,"ALA A  63;VAL A  84;PHE A 168;MET A 177;LEU A 249;ASN A 253;MET A 270;ILE A 274","CFF A 330\r"],["4Y4D_A_CFFA411","4y4d","CFF","Caffeine (DB00201)","Cryphonectria parasitica","ENDOTHIAPEPSIN","Asp",10,"LEU A  13;ASP A  15;THR A 223;LEU A 224;VAL A 248;PHE A 280;GLY A 281;PRO A 282;ILE A 283;PHE A 291","CFF A 411\r"],["5MZP_A_CFFA2401","5mzp","CFF","Caffeine (DB00201)","Homo sapiens;escherichia coli","ADENOSINE RECEPTOR A2A,SOLUBLE CYTOCHROME B562,ADENOSINE RECEPTOR A2A","7tm_1;Cytochrom_B562",12,"ALA A  63;ILE A  66;VAL A  84;LEU A  85;PHE A 168;GLU A 169;MET A 177;TRP A 246;LEU A 249;ASN A 253;MET A 270;ILE A 274","CFF A2401\r"],["6ICN_A_CFFA402","6icn","CFF","Caffeine (DB00201)","Pseudomonas putida","METHYLXANTHINE N1-DEMETHYLASE NDMA","Rieske;VanA_C",12,"PHE A 168;PHE A 174;LEU A 182;PRO A 219;PHE A 223;LEU A 235;LEU A 248;LEU A 264;PHE A 281;ASN A 282;VAL A 285;PHE A 286","CFF A 402\r"],["6QTL_H_CFFH201","6qtl","CFF","Caffeine (DB00201)","Camelidae","VHH","NA",12,"TYR H  34;TYR B  34;THR B 101;THR H 101;ARG B 102;ARG H 102;ALA H 103;ALA B 103;TYR H 104;TYR B 104;SER H 105;SER B 105","CFF H 201\r"],["6SF9_A_CFFA402","6sf9","CFF","Caffeine (DB00201)","Trypanosoma cruzi","FARNESYL DIPHOSPHATE SYNTHASE","polyprenyl_synt",9,"VAL A 252;PHE A 256;TRP A 276;LEU A 277;TYR A 312;SER A 313;LEU A 317;GLN A 318;PHE A 321","CFF A 402\r"],["6TV4_A_CFFA616","6tv4","CFF","Caffeine (DB00201)","Homo sapiens","PALMITOLEOYL-PROTEIN CARBOXYLESTERASE NOTUM","PAE",14,"TRP A 128;TYR A 129;VAL A 187;SER A 232;ALA A 233;THR A 236;PHE A 268;PRO A 287;ILE A 291;PHE A 319;PHE A 320;ALA A 342;GLN A 343;VAL A 346","CFF A 616\r"],["6UG4_A_CFFA201","6ug4","CFF","Caffeine (DB00201)","Bacteroides thetaiotaomicron (strain atcc 29148 \/ dsm 2079 \/ nctc 10582 \/ e50 \/ vpi-5482)","PUTATIVE RYANODINE RECEPTOR","RyR",10,"VAL B  35;HIS B  36;TRP B  39;ARG B  54;HIS B  61;CYS B  63;GLU A  74;ALA A  77;ASP A  78;THR A  81","CFF A 201\r"],["6UG4_A_CFFA202","6ug4","CFF","Caffeine (DB00201)","Bacteroides thetaiotaomicron (strain atcc 29148 \/ dsm 2079 \/ nctc 10582 \/ e50 \/ vpi-5482)","PUTATIVE RYANODINE RECEPTOR","RyR",6,"GLU A  74;GLU B  74;ASP B  78;ASP A  78;THR B  81;THR A  81","CFF A 202\r"],["6UG4_A_CFFA203","6ug4","CFF","Caffeine (DB00201)","Bacteroides thetaiotaomicron (strain atcc 29148 \/ dsm 2079 \/ nctc 10582 \/ e50 \/ vpi-5482)","PUTATIVE RYANODINE RECEPTOR","RyR",9,"VAL A  35;HIS A  36;TRP A  39;HIS A  61;CYS A  63;GLU B  74;ALA B  77;ASP B  78;THR B  81","CFF A 203\r"],["7D7K_A_CFFA402","7d7k","CFF","Caffeine (DB00201)","Severe acute respiratory syndrome coronavirus 2","NON-STRUCTURAL PROTEIN 3","NA",6,"TRP A 106;THR A 265;CYS A 270;GLY A 271;HIS A 272;ASP A 286","CFF A 402\r"]]