7KQ6
Crystal Structure of Acetyl-coenzyme A synthetase from Coccidioides immitis in complex with PRX
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003987 | molecular_function | acetate-CoA ligase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0006085 | biological_process | acetyl-CoA biosynthetic process |
| A | 0016208 | molecular_function | AMP binding |
| A | 0016874 | molecular_function | ligase activity |
| A | 0019427 | biological_process | acetyl-CoA biosynthetic process from acetate |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003987 | molecular_function | acetate-CoA ligase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0006085 | biological_process | acetyl-CoA biosynthetic process |
| B | 0016208 | molecular_function | AMP binding |
| B | 0016874 | molecular_function | ligase activity |
| B | 0019427 | biological_process | acetyl-CoA biosynthetic process from acetate |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0003987 | molecular_function | acetate-CoA ligase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005829 | cellular_component | cytosol |
| C | 0006085 | biological_process | acetyl-CoA biosynthetic process |
| C | 0016208 | molecular_function | AMP binding |
| C | 0016874 | molecular_function | ligase activity |
| C | 0019427 | biological_process | acetyl-CoA biosynthetic process from acetate |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | binding site for residue PRX A 701 |
| Chain | Residue |
| A | THR328 |
| A | GLN431 |
| A | THR432 |
| A | ASP518 |
| A | ILE530 |
| A | ARG533 |
| A | ASN539 |
| A | ARG544 |
| A | HOH883 |
| A | HOH923 |
| A | HOH1081 |
| A | VAL402 |
| A | HOH1199 |
| A | GLY403 |
| A | GLU404 |
| A | PRO405 |
| A | ASP427 |
| A | THR428 |
| A | TYR429 |
| A | TRP430 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 702 |
| Chain | Residue |
| A | TYR29 |
| A | SER39 |
| A | HOH928 |
| A | HOH979 |
| A | HOH1070 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 703 |
| Chain | Residue |
| A | LEU47 |
| A | ARG61 |
| A | ASP65 |
| A | TYR308 |
| A | HOH804 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 704 |
| Chain | Residue |
| A | ARG103 |
| A | LEU339 |
| A | LEU340 |
| A | HOH1030 |
| A | HOH1051 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 705 |
| Chain | Residue |
| A | HIS104 |
| A | LYS111 |
| A | GLY341 |
| A | HOH899 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 706 |
| Chain | Residue |
| A | ARG125 |
| A | GLU135 |
| A | HOH801 |
| A | HOH900 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 707 |
| Chain | Residue |
| A | TYR116 |
| A | ARG125 |
| A | ILE161 |
| A | PRO162 |
| A | GLU163 |
| A | ARG239 |
| A | HOH1216 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 708 |
| Chain | Residue |
| A | TRP496 |
| A | GLY497 |
| A | HOH812 |
| A | HOH875 |
| A | HOH1033 |
| B | TRP141 |
| B | TYR261 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 709 |
| Chain | Residue |
| A | GLY249 |
| A | LEU252 |
| A | HOH830 |
| A | HOH912 |
| A | HOH1230 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 710 |
| Chain | Residue |
| A | LYS71 |
| A | ASP74 |
| site_id | AD2 |
| Number of Residues | 19 |
| Details | binding site for residue PRX B 701 |
| Chain | Residue |
| B | THR328 |
| B | VAL402 |
| B | GLY403 |
| B | GLU404 |
| B | PRO405 |
| B | ASP427 |
| B | THR428 |
| B | TYR429 |
| B | TRP430 |
| B | GLN431 |
| B | THR432 |
| B | ASP518 |
| B | ILE530 |
| B | ARG533 |
| B | ARG544 |
| B | HOH810 |
| B | HOH968 |
| B | HOH1032 |
| B | HOH1071 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 702 |
| Chain | Residue |
| B | TYR29 |
| B | SER39 |
| B | HOH994 |
| B | HOH1063 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 703 |
| Chain | Residue |
| B | LEU47 |
| B | ARG61 |
| B | ASP65 |
| B | TYR308 |
| B | HOH806 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 704 |
| Chain | Residue |
| B | HIS104 |
| B | LYS111 |
| B | GLY341 |
| B | HOH1009 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 705 |
| Chain | Residue |
| B | GLU163 |
| B | ARG239 |
| B | TYR116 |
| B | ARG125 |
| B | ILE161 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 706 |
| Chain | Residue |
| B | GLU117 |
| B | PRO121 |
| B | GLY122 |
| B | ARG358 |
| B | LYS365 |
| B | HOH1013 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 707 |
| Chain | Residue |
| B | ARG125 |
| B | GLU135 |
| B | PHE166 |
| B | HOH817 |
| B | HOH854 |
| B | HOH1186 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 708 |
| Chain | Residue |
| B | GLY151 |
| B | ASP152 |
| B | THR153 |
| B | ALA197 |
| B | ARG198 |
| B | HOH895 |
| site_id | AE1 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 709 |
| Chain | Residue |
| B | TRP496 |
| B | GLY497 |
| B | HOH829 |
| B | HOH905 |
| C | TRP141 |
| C | TYR261 |
| C | HOH993 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 710 |
| Chain | Residue |
| B | ASP222 |
| B | THR247 |
| B | ARG250 |
| B | HOH1017 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 711 |
| Chain | Residue |
| B | ASP243 |
| B | VAL244 |
| B | TRP253 |
| B | HOH1152 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 712 |
| Chain | Residue |
| B | ASP56 |
| B | ARG64 |
| B | LYS75 |
| B | THR76 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 713 |
| Chain | Residue |
| B | LYS71 |
| B | ASP74 |
| C | GLU70 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 714 |
| Chain | Residue |
| B | ASP85 |
| B | HOH963 |
| C | ALA130 |
| C | GLU131 |
| C | LYS134 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 701 |
| Chain | Residue |
| A | GLU70 |
| A | PHE98 |
| C | LYS71 |
| C | ASP74 |
| site_id | AE8 |
| Number of Residues | 19 |
| Details | binding site for residue PRX C 702 |
| Chain | Residue |
| C | THR328 |
| C | VAL402 |
| C | GLY403 |
| C | GLU404 |
| C | PRO405 |
| C | ASP427 |
| C | THR428 |
| C | TYR429 |
| C | TRP430 |
| C | GLN431 |
| C | THR432 |
| C | ASP518 |
| C | ILE530 |
| C | ARG533 |
| C | ARG544 |
| C | HOH911 |
| C | HOH996 |
| C | HOH1029 |
| C | HOH1044 |
| site_id | AE9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 703 |
| Chain | Residue |
| C | TYR29 |
| C | SER39 |
| C | HOH827 |
| C | HOH897 |
| C | HOH974 |
| site_id | AF1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 704 |
| Chain | Residue |
| C | LEU47 |
| C | ARG61 |
| C | MET62 |
| C | ASP65 |
| C | TYR308 |
| C | HOH841 |
| site_id | AF2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 705 |
| Chain | Residue |
| C | HIS104 |
| C | LYS111 |
| C | GLY341 |
| C | HOH986 |
| C | HOH1158 |
| site_id | AF3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 706 |
| Chain | Residue |
| C | TYR116 |
| C | ARG125 |
| C | GLU163 |
| C | PHE237 |
| C | ARG239 |
| site_id | AF4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 707 |
| Chain | Residue |
| C | ARG125 |
| C | GLU135 |
| C | EDO708 |
| C | HOH816 |
| C | HOH884 |
| C | HOH1162 |
| site_id | AF5 |
| Number of Residues | 8 |
| Details | binding site for residue EDO C 708 |
| Chain | Residue |
| C | GLU135 |
| C | ARG138 |
| C | GLU163 |
| C | PHE237 |
| C | TRP254 |
| C | EDO707 |
| C | HOH816 |
| C | HOH1154 |
| site_id | AF6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 709 |
| Chain | Residue |
| C | ASP222 |
| C | THR247 |
| C | ARG250 |
| C | HOH1089 |
| site_id | AF7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 710 |
| Chain | Residue |
| A | TRP141 |
| A | TYR261 |
| A | HOH958 |
| C | TRP496 |
| C | GLY497 |
| C | HOH834 |
| C | HOH838 |
| site_id | AF8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 711 |
| Chain | Residue |
| C | ASP243 |
| C | VAL244 |
| C | HOH806 |
Functional Information from PROSITE/UniProt
| site_id | PS00455 |
| Number of Residues | 12 |
| Details | AMP_BINDING Putative AMP-binding domain signature. LLYTSGSTGkPK |
| Chain | Residue | Details |
| A | LEU278-LYS289 |
