eF-site ID 1a71-B PDB Code 1a71 Chain B click to enlarge Title TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL Classification OXIDOREDUCTASE Compound LIVER ALCOHOL DEHYDROGENASE Source Equus caballus (Horse) (ADHE_HORSE) Sequence B:  STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKM VATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGV TTVRPGDKVIPLWTPQCGKCRVCKHPEGNFCLKNDLSMPR GTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKI DAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGL GGAGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATEC VNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALS CCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFG GFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFD LLRSGESIRTILTF Description (1)  LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL Functional site 1) chain B residue 46 type ligand sequence C description BINDING SITE FOR RESIDUE ZN B 401 source : AC3 2) chain B residue 67 type ligand sequence H description BINDING SITE FOR RESIDUE ZN B 401 source : AC3 3) chain B residue 174 type ligand sequence C description BINDING SITE FOR RESIDUE ZN B 401 source : AC3 4) chain B residue 97 type ligand sequence C description BINDING SITE FOR RESIDUE ZN B 402 source : AC4 5) chain B residue 100 type ligand sequence C description BINDING SITE FOR RESIDUE ZN B 402 source : AC4 6) chain B residue 103 type ligand sequence C description BINDING SITE FOR RESIDUE ZN B 402 source : AC4 7) chain B residue 111 type ligand sequence C description BINDING SITE FOR RESIDUE ZN B 402 source : AC4 8) chain B residue 309 type ligand sequence L description BINDING SITE FOR RESIDUE NAD A 403 source : AC5 9) chain B residue 47 type ligand sequence R description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 10) chain B residue 48 type ligand sequence S description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 11) chain B residue 51 type ligand sequence H description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 12) chain B residue 93 type ligand sequence W description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 13) chain B residue 174 type ligand sequence C description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 14) chain B residue 178 type ligand sequence T description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 15) chain B residue 199 type ligand sequence G description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 16) chain B residue 201 type ligand sequence G description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 17) chain B residue 202 type ligand sequence G description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 18) chain B residue 203 type ligand sequence A description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 19) chain B residue 223 type ligand sequence D description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 20) chain B residue 224 type ligand sequence I description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 21) chain B residue 228 type ligand sequence K description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 22) chain B residue 268 type ligand sequence V description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 23) chain B residue 269 type ligand sequence I description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 24) chain B residue 271 type ligand sequence R description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 25) chain B residue 292 type ligand sequence V description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 26) chain B residue 293 type ligand sequence G description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 27) chain B residue 294 type ligand sequence V description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 28) chain B residue 317 type ligand sequence A description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 29) chain B residue 318 type ligand sequence I description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 30) chain B residue 319 type ligand sequence F description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 31) chain B residue 362 type ligand sequence L description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 32) chain B residue 369 type ligand sequence R description BINDING SITE FOR RESIDUE NAD B 403 source : AC7 33) chain B residue 46 type ligand sequence C description BINDING SITE FOR RESIDUE ETF B 404 source : AC8 34) chain B residue 48 type ligand sequence S description BINDING SITE FOR RESIDUE ETF B 404 source : AC8 35) chain B residue 67 type ligand sequence H description BINDING SITE FOR RESIDUE ETF B 404 source : AC8 36) chain B residue 93 type ligand sequence W description BINDING SITE FOR RESIDUE ETF B 404 source : AC8 37) chain B residue 141 type ligand sequence L description BINDING SITE FOR RESIDUE ETF B 404 source : AC8 38) chain B residue 174 type ligand sequence C description BINDING SITE FOR RESIDUE ETF B 404 source : AC8 39) chain B residue 294 type ligand sequence V description BINDING SITE FOR RESIDUE ETF B 404 source : AC8 40) chain B residue 46 type METAL ligand sequence C description Zinc 1; catalytic source Swiss-Prot : SWS_FT_FI5 41) chain B residue 67 type METAL ligand sequence H description Zinc 1; catalytic source Swiss-Prot : SWS_FT_FI5 42) chain B residue 174 type METAL ligand sequence C description Zinc 1; catalytic source Swiss-Prot : SWS_FT_FI5 43) chain B residue 97 type METAL ligand sequence C description Zinc 2 source Swiss-Prot : SWS_FT_FI6 44) chain B residue 100 type METAL ligand sequence C description Zinc 2 source Swiss-Prot : SWS_FT_FI6 45) chain B residue 103 type METAL ligand sequence C description Zinc 2 source Swiss-Prot : SWS_FT_FI6 46) chain B residue 111 type METAL ligand sequence C description Zinc 2 source Swiss-Prot : SWS_FT_FI6 47) chain B residue 223 type BINDING ligand sequence D description NAD. source Swiss-Prot : SWS_FT_FI7 48) chain B residue 228 type BINDING ligand sequence K description NAD. source Swiss-Prot : SWS_FT_FI7 49) chain B residue 369 type BINDING ligand sequence R description NAD. source Swiss-Prot : SWS_FT_FI7 50) chain B residue 199-204 type NP_BIND ligand sequence GLGGAG description NAD. source Swiss-Prot : SWS_FT_FI8 51) chain B residue 292-294 type NP_BIND ligand sequence VGV description NAD. source Swiss-Prot : SWS_FT_FI8 52) chain B residue 66-80 type prosite ligand sequence GHEAAGIVESIGEGV description Zinc-containing alcohol dehydrogenases signature. G-H-E-x-{EL}-G-{AP}-x(4)-[GA]-x(2)-[IVSAC] source prosite : PS00059 53) chain B residue 309 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence L description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_A_403 54) chain B residue 46-48 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence CRS description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 55) chain B residue 51 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence H description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 56) chain B residue 93 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence W description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 57) chain B residue 174-175 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence CG description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 58) chain B residue 178 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence T description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 59) chain B residue 199-204 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence GLGGAG description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 60) chain B residue 222-225 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence VDIN description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 61) chain B residue 228 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence K description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 62) chain B residue 243 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence P description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 63) chain B residue 268-271 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence VIGR description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 64) chain B residue 274 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence T description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 65) chain B residue 292-294 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence VGV description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 66) chain B residue 317-320 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence AIFG description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 67) chain B residue 362 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence L description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 68) chain B residue 367-369 type binding ligand NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE sequence SIR description NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site source pdb_hetatom : NAD_1a71_B_403 69) chain B residue 46 type binding ligand ETF: TRIFLUOROETHANOL sequence C description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 70) chain B residue 48 type binding ligand ETF: TRIFLUOROETHANOL sequence S description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 71) chain B residue 57 type binding ligand ETF: TRIFLUOROETHANOL sequence L description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 72) chain B residue 67 type binding ligand ETF: TRIFLUOROETHANOL sequence H description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 73) chain B residue 93 type binding ligand ETF: TRIFLUOROETHANOL sequence W description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 74) chain B residue 116 type binding ligand ETF: TRIFLUOROETHANOL sequence L description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 75) chain B residue 140-141 type binding ligand ETF: TRIFLUOROETHANOL sequence FL description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 76) chain B residue 174 type binding ligand ETF: TRIFLUOROETHANOL sequence C description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 77) chain B residue 294 type binding ligand ETF: TRIFLUOROETHANOL sequence V description TRIFLUOROETHANOL binding site source pdb_hetatom : ETF_1a71_B_404 78) chain B residue 57 type catalytic ligand sequence L description Annotated By Reference To The Literature 1guf source CSA : CSA2 79) chain B residue 48 type catalytic ligand sequence S description Annotated By Reference To The Literature 1guf source CSA : CSA4 80) chain B residue 51 type catalytic ligand sequence H description Annotated By Reference To The Literature 1guf source CSA : CSA4

Display surface Download Links