1SWV
Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0016787 | molecular_function | hydrolase activity |
A | 0019700 | biological_process | organic phosphonate catabolic process |
A | 0046872 | molecular_function | metal ion binding |
A | 0050194 | molecular_function | phosphonoacetaldehyde hydrolase activity |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0016787 | molecular_function | hydrolase activity |
B | 0019700 | biological_process | organic phosphonate catabolic process |
B | 0046872 | molecular_function | metal ion binding |
B | 0050194 | molecular_function | phosphonoacetaldehyde hydrolase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG A 501 |
Chain | Residue |
A | ALA12 |
A | ALA14 |
A | ASP186 |
A | ASP190 |
A | HOH556 |
site_id | AC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE MG B 502 |
Chain | Residue |
B | ASP190 |
B | HOH511 |
B | HOH560 |
B | HOH602 |
B | ALA12 |
B | ALA14 |
B | ASP186 |
B | THR187 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: Nucleophile |
Chain | Residue | Details |
A | ALA12 | |
B | ALA12 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | ACT_SITE: Schiff-base intermediate with substrate |
Chain | Residue | Details |
A | LYS53 | |
B | LYS53 |
site_id | SWS_FT_FI3 |
Number of Residues | 6 |
Details | BINDING: |
Chain | Residue | Details |
A | ALA12 | |
A | ALA14 | |
A | ASP186 | |
B | ALA12 | |
B | ALA14 | |
B | ASP186 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 8 |
Details | M-CSA 181 |
Chain | Residue | Details |
A | ALA12 | hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile |
A | ALA14 | metal ligand |
A | ALA45 | electrostatic stabiliser, hydrogen bond acceptor |
A | MET49 | activator, electrostatic stabiliser, hydrogen bond acceptor |
A | LYS53 | covalently attached, electron pair acceptor, electron pair donor, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, polar interaction, proton acceptor, proton donor |
A | HIS56 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | ARG160 | electrostatic stabiliser, hydrogen bond donor |
A | ASP186 | metal ligand |
site_id | MCSA2 |
Number of Residues | 8 |
Details | M-CSA 181 |
Chain | Residue | Details |
B | ALA12 | hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile |
B | ALA14 | metal ligand |
B | ALA45 | electrostatic stabiliser, hydrogen bond acceptor |
B | MET49 | activator, electrostatic stabiliser, hydrogen bond acceptor |
B | LYS53 | covalently attached, electron pair acceptor, electron pair donor, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, polar interaction, proton acceptor, proton donor |
B | HIS56 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
B | ARG160 | electrostatic stabiliser, hydrogen bond donor |
B | ASP186 | metal ligand |