5K85
Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A 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 | 19 |
| Details | binding site for residue PRX A 701 |
| Chain | Residue |
| A | TRP334 |
| A | TRP439 |
| A | MET440 |
| A | THR441 |
| A | ASP527 |
| A | ARG542 |
| A | HOH820 |
| A | HOH885 |
| A | HOH948 |
| A | HOH997 |
| A | HOH1014 |
| A | THR336 |
| A | VAL411 |
| A | GLY412 |
| A | GLU413 |
| A | PRO414 |
| A | ASP436 |
| A | THR437 |
| A | TYR438 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 702 |
| Chain | Residue |
| A | ILE44 |
| A | GLY45 |
| A | SER50 |
| A | HOH1026 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 703 |
| Chain | Residue |
| A | ARG72 |
| A | TRP77 |
| A | ASP80 |
| A | HOH942 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 704 |
| Chain | Residue |
| A | GLU139 |
| A | GLU143 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 705 |
| Chain | Residue |
| A | ALA320 |
| A | HIS321 |
| A | PRO322 |
| A | ASN348 |
| A | HOH983 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 706 |
| Chain | Residue |
| A | PRO29 |
| A | ASN47 |
| A | TYR48 |
| A | ALA454 |
| A | ILE455 |
| A | SER456 |
| A | HOH819 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 707 |
| Chain | Residue |
| A | ASP76 |
| A | TRP77 |
| A | TYR78 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 708 |
| Chain | Residue |
| A | HIS43 |
| A | LYS315 |
| A | TYR316 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue PO4 B 701 |
| Chain | Residue |
| B | HIS43 |
| B | LYS315 |
| B | HOH1018 |
| site_id | AD1 |
| Number of Residues | 16 |
| Details | binding site for residue PRX B 702 |
| 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 | HOH853 |
| B | HOH957 |
| B | HOH962 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 703 |
| Chain | Residue |
| B | SER607 |
| B | ALA611 |
| B | PRO624 |
| B | LYS625 |
| B | HOH807 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 704 |
| Chain | Residue |
| B | ASP76 |
| B | TRP77 |
| B | TYR106 |
| C | LYS82 |
| site_id | AD4 |
| Number of Residues | 12 |
| Details | binding site for residue COA C 801 |
| Chain | Residue |
| C | PHE190 |
| C | ARG218 |
| C | ALA330 |
| C | ASP331 |
| C | TRP334 |
| C | THR336 |
| C | PRO359 |
| C | SER550 |
| C | HIS552 |
| C | ARG615 |
| C | PRO620 |
| C | PHE621 |
| site_id | AD5 |
| Number of Residues | 14 |
| Details | binding site for residue PRX C 802 |
| Chain | Residue |
| C | ARG542 |
| C | ARG553 |
| C | THR336 |
| C | GLY412 |
| C | GLU413 |
| C | PRO414 |
| C | ASP436 |
| C | THR437 |
| C | TYR438 |
| C | TRP439 |
| C | MET440 |
| C | THR441 |
| C | ASP527 |
| C | ILE539 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 803 |
| Chain | Residue |
| C | ASP76 |
| C | TRP77 |
| C | TYR78 |
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 |
