5IFI
CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE FROM CRYPTOCOCCUS NEOFORMANS H99
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 |
| A | 0046872 | molecular_function | metal ion binding |
| 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 |
| B | 0046872 | molecular_function | metal ion binding |
| 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 |
| C | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | binding site for residue PRX A 701 |
| Chain | Residue |
| A | TRP334 |
| A | TRP439 |
| A | MET440 |
| A | THR441 |
| A | ASP527 |
| A | ILE539 |
| A | ARG542 |
| A | HOH815 |
| A | HOH820 |
| A | HOH951 |
| A | HOH992 |
| A | ILE335 |
| A | HOH1006 |
| A | HOH1032 |
| A | HOH1052 |
| A | THR336 |
| A | GLY412 |
| A | GLU413 |
| A | PRO414 |
| A | ASP436 |
| A | THR437 |
| A | TYR438 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 702 |
| Chain | Residue |
| A | GLY45 |
| A | SER50 |
| A | HOH1028 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 703 |
| Chain | Residue |
| A | TYR48 |
| A | TYR51 |
| A | TRP55 |
| A | PHE464 |
| A | PRO465 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 704 |
| Chain | Residue |
| A | ARG72 |
| A | TRP77 |
| A | ASP80 |
| A | HOH928 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 705 |
| Chain | Residue |
| A | GLU139 |
| A | GLU143 |
| A | TRP170 |
| A | HOH808 |
| A | HOH953 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 706 |
| Chain | Residue |
| A | ALA320 |
| A | HIS321 |
| A | PRO322 |
| A | ASN348 |
| A | HOH891 |
| A | HOH947 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 707 |
| Chain | Residue |
| A | PRO29 |
| A | ASN47 |
| A | TYR48 |
| A | ALA454 |
| A | ILE455 |
| A | SER456 |
| A | HOH1071 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 708 |
| Chain | Residue |
| A | ASP76 |
| A | TRP77 |
| A | TYR78 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 709 |
| Chain | Residue |
| A | GLY60 |
| A | PRO61 |
| A | ASP64 |
| A | ARG85 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 710 |
| Chain | Residue |
| A | TYR124 |
| A | THR169 |
| A | TRP170 |
| A | GLN171 |
| A | ARG247 |
| A | HOH804 |
| A | HOH859 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 711 |
| Chain | Residue |
| A | HIS43 |
| A | LYS315 |
| A | TYR316 |
| site_id | AD3 |
| Number of Residues | 17 |
| Details | binding site for residue PRX B 701 |
| Chain | Residue |
| B | TRP334 |
| B | THR336 |
| B | GLY412 |
| B | GLU413 |
| B | PRO414 |
| B | ASP436 |
| B | THR437 |
| B | TYR438 |
| B | TRP439 |
| B | MET440 |
| B | THR441 |
| B | ASP527 |
| B | ARG542 |
| B | HOH927 |
| B | HOH1004 |
| B | HOH1017 |
| B | HOH1114 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 B 702 |
| Chain | Residue |
| B | LYS315 |
| B | ALA320 |
| B | PRO322 |
| B | ASN348 |
| B | ILE350 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue PO4 B 703 |
| Chain | Residue |
| B | HIS43 |
| B | LYS315 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 B 704 |
| Chain | Residue |
| B | HIS43 |
| B | ILE44 |
| B | GLY45 |
| B | HOH837 |
| B | HOH860 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue PO4 B 705 |
| Chain | Residue |
| B | ARG510 |
| B | THR514 |
| B | LYS297 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 706 |
| Chain | Residue |
| B | SER23 |
| B | GLU24 |
| B | ASP25 |
| B | LEU26 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 707 |
| Chain | Residue |
| B | PRO29 |
| B | ASN47 |
| B | TYR48 |
| B | ALA454 |
| B | SER456 |
| B | HOH867 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 708 |
| Chain | Residue |
| B | ASP160 |
| B | ALA161 |
| B | CYS205 |
| B | GLU206 |
| B | TYR505 |
| B | HOH890 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 709 |
| Chain | Residue |
| B | SER607 |
| B | ALA611 |
| B | PRO624 |
| B | HOH864 |
| B | HOH865 |
| B | HOH870 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 710 |
| Chain | Residue |
| B | GLU65 |
| B | TRP66 |
| B | HOH917 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 711 |
| Chain | Residue |
| B | LYS152 |
| B | CYS273 |
| B | PRO274 |
| B | GLU276 |
| C | HOH888 |
| site_id | AE5 |
| Number of Residues | 14 |
| Details | binding site for residue PRX C 701 |
| Chain | Residue |
| C | THR336 |
| C | GLY412 |
| C | GLU413 |
| C | PRO414 |
| C | ASP436 |
| C | THR437 |
| C | TYR438 |
| C | TRP439 |
| C | MET440 |
| C | THR441 |
| C | ASP527 |
| C | ILE539 |
| C | ARG542 |
| C | ARG553 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 702 |
| Chain | Residue |
| A | GLU99 |
| C | ASP76 |
| C | TRP77 |
| C | TYR78 |
| C | TYR106 |
| site_id | AE7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 703 |
| Chain | Residue |
| C | TYR154 |
| C | ASN241 |
| C | VAL242 |
| C | GLY257 |
| C | ARG258 |
| C | LYS260 |
| C | HOH801 |
Functional Information from PROSITE/UniProt
| site_id | PS00455 |
| Number of Residues | 12 |
| Details | AMP_BINDING Putative AMP-binding domain signature. ILYTSGSTGkPK |
| Chain | Residue | Details |
| A | ILE286-LYS297 |
