7KNP
Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-butylphosphate from Cryptococcus neoformans var. grubii serotype A (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 | 16 |
Details | binding site for residue WT7 A 701 |
Chain | Residue |
A | ILE335 |
A | TRP439 |
A | MET440 |
A | THR441 |
A | ASP527 |
A | ARG542 |
A | HOH805 |
A | HOH922 |
A | THR336 |
A | VAL411 |
A | GLY412 |
A | GLU413 |
A | PRO414 |
A | ASP436 |
A | THR437 |
A | TYR438 |
site_id | AC2 |
Number of Residues | 2 |
Details | binding site for residue EDO A 702 |
Chain | Residue |
A | ASP76 |
A | TRP77 |
site_id | AC3 |
Number of Residues | 7 |
Details | binding site for residue EDO A 703 |
Chain | Residue |
A | LYS315 |
A | ALA320 |
A | HIS321 |
A | PRO322 |
A | ASN348 |
A | HOH844 |
A | HOH914 |
site_id | AC4 |
Number of Residues | 2 |
Details | binding site for residue EDO A 704 |
Chain | Residue |
A | LYS70 |
A | GLU73 |
site_id | AC5 |
Number of Residues | 3 |
Details | binding site for residue EDO A 705 |
Chain | Residue |
A | ARG72 |
A | LYS82 |
A | HOH834 |
site_id | AC6 |
Number of Residues | 4 |
Details | binding site for residue PO4 A 706 |
Chain | Residue |
A | HIS43 |
A | LYS315 |
A | TYR316 |
A | HOH883 |
site_id | AC7 |
Number of Residues | 21 |
Details | binding site for residue WT7 B 701 |
Chain | Residue |
B | ILE335 |
B | THR336 |
B | VAL411 |
B | GLY412 |
B | GLU413 |
B | PRO414 |
B | ASP436 |
B | THR437 |
B | TYR438 |
B | TRP439 |
B | MET440 |
B | THR441 |
B | ASP527 |
B | ILE539 |
B | ARG542 |
B | HOH822 |
B | HOH837 |
B | HOH943 |
B | HOH954 |
B | HOH1010 |
B | HOH1062 |
site_id | AC8 |
Number of Residues | 2 |
Details | binding site for residue EDO B 702 |
Chain | Residue |
B | ASP76 |
B | TRP77 |
site_id | AC9 |
Number of Residues | 5 |
Details | binding site for residue EDO B 703 |
Chain | Residue |
B | LYS315 |
B | ALA320 |
B | HIS321 |
B | PRO322 |
B | ASN348 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue EDO B 704 |
Chain | Residue |
A | PRO270 |
A | HOH879 |
B | THR503 |
B | TYR505 |
B | ARG506 |
B | HOH825 |
site_id | AD2 |
Number of Residues | 3 |
Details | binding site for residue EDO B 705 |
Chain | Residue |
B | ARG72 |
B | LYS82 |
B | HOH1077 |
site_id | AD3 |
Number of Residues | 5 |
Details | binding site for residue EDO B 706 |
Chain | Residue |
B | HIS14 |
B | TRP538 |
B | HOH868 |
B | HOH914 |
B | HOH1039 |
site_id | AD4 |
Number of Residues | 3 |
Details | binding site for residue PO4 B 707 |
Chain | Residue |
B | HIS43 |
B | LYS315 |
B | TYR316 |
site_id | AD5 |
Number of Residues | 10 |
Details | binding site for residue WT7 C 701 |
Chain | Residue |
C | THR336 |
C | VAL411 |
C | GLY412 |
C | PRO414 |
C | THR437 |
C | TYR438 |
C | TRP439 |
C | MET440 |
C | THR441 |
C | ASP527 |
site_id | AD6 |
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 | AD7 |
Number of Residues | 4 |
Details | binding site for residue EDO C 703 |
Chain | Residue |
C | ALA320 |
C | HIS321 |
C | PRO322 |
C | ASN348 |
site_id | AD8 |
Number of Residues | 3 |
Details | binding site for residue EDO C 704 |
Chain | Residue |
C | PHE81 |
C | LYS82 |
C | ARG72 |
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 |