1SO5
Crystal structure of E112Q mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0004590 | molecular_function | orotidine-5'-phosphate decarboxylase activity |
A | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
A | 0016831 | molecular_function | carboxy-lyase activity |
A | 0019854 | biological_process | L-ascorbic acid catabolic process |
A | 0033982 | molecular_function | 3-dehydro-L-gulonate-6-phosphate decarboxylase activity |
A | 0046872 | molecular_function | metal ion binding |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0004590 | molecular_function | orotidine-5'-phosphate decarboxylase activity |
B | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
B | 0016831 | molecular_function | carboxy-lyase activity |
B | 0019854 | biological_process | L-ascorbic acid catabolic process |
B | 0033982 | molecular_function | 3-dehydro-L-gulonate-6-phosphate decarboxylase activity |
B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG B 1300 |
Chain | Residue |
B | GLU33 |
B | ASP62 |
B | TX41301 |
B | HOH1480 |
B | HOH1481 |
site_id | AC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG A 2300 |
Chain | Residue |
A | HOH2481 |
A | GLU33 |
A | ASP62 |
A | TX42301 |
A | HOH2472 |
site_id | AC3 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE TX4 B 1301 |
Chain | Residue |
A | ASP67 |
A | HOH2408 |
B | ALA9 |
B | ASP11 |
B | GLU33 |
B | ASP62 |
B | LYS64 |
B | HIS136 |
B | THR169 |
B | GLY171 |
B | GLY191 |
B | ARG192 |
B | MG1300 |
B | HOH1303 |
B | HOH1314 |
B | HOH1316 |
B | HOH1387 |
B | HOH1388 |
B | HOH1480 |
B | HOH1481 |
site_id | AC4 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE TX4 A 2301 |
Chain | Residue |
A | ALA9 |
A | ASP11 |
A | GLU33 |
A | ASP62 |
A | LYS64 |
A | HIS136 |
A | THR169 |
A | GLY171 |
A | GLY191 |
A | ARG192 |
A | MG2300 |
A | HOH2303 |
A | HOH2308 |
A | HOH2313 |
A | HOH2328 |
A | HOH2376 |
A | HOH2393 |
A | HOH2472 |
A | HOH2481 |
B | ASP67 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 8 |
Details | BINDING: |
Chain | Residue | Details |
A | ASP11 | |
A | GLU33 | |
A | ASP62 | |
A | ARG192 | |
B | ASP11 | |
B | GLU33 | |
B | ASP62 | |
B | ARG192 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | SITE: Transition state stabilizer |
Chain | Residue | Details |
A | LYS64 | |
A | ASP67 | |
B | LYS64 | |
B | ASP67 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dbt |
Chain | Residue | Details |
A | LYS64 | |
A | ASP62 |
site_id | CSA2 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dbt |
Chain | Residue | Details |
B | LYS64 | |
B | ASP62 |
site_id | MCSA1 |
Number of Residues | 9 |
Details | M-CSA 236 |
Chain | Residue | Details |
A | THR36 | ground state destabiliser |
A | ILE37 | ground state destabiliser |
A | LYS64 | attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor |
A | ASP67 | electrostatic stabiliser, hydrogen bond acceptor |
A | ALA68 | ground state destabiliser |
A | LEU72 | ground state destabiliser |
A | GLN112 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
A | HIS136 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | ARG139 | hydrogen bond donor, proton acceptor, proton donor |
site_id | MCSA2 |
Number of Residues | 9 |
Details | M-CSA 236 |
Chain | Residue | Details |
B | THR36 | ground state destabiliser |
B | ILE37 | ground state destabiliser |
B | LYS64 | attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor |
B | ASP67 | electrostatic stabiliser, hydrogen bond acceptor |
B | ALA68 | ground state destabiliser |
B | LEU72 | ground state destabiliser |
B | GLN112 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
B | HIS136 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
B | ARG139 | hydrogen bond donor, proton acceptor, proton donor |