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 | 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 | 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 | 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 |