1S2U
Crystal structure of the D58A phosphoenolpyruvate mutase mutant protein
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0032923 | biological_process | organic phosphonate biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050188 | molecular_function | phosphoenolpyruvate mutase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0032923 | biological_process | organic phosphonate biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050188 | molecular_function | phosphoenolpyruvate mutase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PEG A 600 |
| Chain | Residue |
| A | TRP44 |
| A | SER46 |
| A | ASP85 |
| A | ARG159 |
| A | ALA238 |
| A | HOH843 |
| A | HOH858 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PEG B 700 |
| Chain | Residue |
| B | VAL215 |
| B | THR217 |
| B | ASN239 |
| B | HOH735 |
| B | HOH744 |
| B | HOH873 |
| B | HOH936 |
| B | ARG159 |
| B | HIS190 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile => ECO:0000255 |
| Chain | Residue | Details |
| A | ALA58 | |
| B | ALA58 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ALA58 | |
| B | ALA58 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 12 |
| Details | M-CSA 271 |
| Chain | Residue | Details |
| A | SER46 | electrostatic stabiliser, hydrogen bond donor, steric role |
| A | GLY47 | electrostatic stabiliser, steric role |
| A | LEU48 | electrostatic stabiliser, hydrogen bond donor, steric role |
| A | ALA58 | metal ligand, nucleofuge, nucleophile, promote heterolysis |
| A | ASP85 | electrostatic stabiliser, hydrogen bond donor, metal ligand |
| A | ASP87 | electrostatic stabiliser, hydrogen bond donor |
| A | GLU114 | electrostatic stabiliser, hydrogen bond donor |
| A | LYS120 | electrostatic stabiliser, promote heterolysis |
| A | ASN122 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| A | SER123 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| A | ARG159 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| A | HIS190 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| site_id | MCSA2 |
| Number of Residues | 12 |
| Details | M-CSA 271 |
| Chain | Residue | Details |
| B | SER46 | electrostatic stabiliser, hydrogen bond donor, steric role |
| B | GLY47 | electrostatic stabiliser, steric role |
| B | LEU48 | electrostatic stabiliser, hydrogen bond donor, steric role |
| B | ALA58 | metal ligand, nucleofuge, nucleophile, promote heterolysis |
| B | ASP85 | electrostatic stabiliser, hydrogen bond donor, metal ligand |
| B | ASP87 | electrostatic stabiliser, hydrogen bond donor |
| B | GLU114 | electrostatic stabiliser, hydrogen bond donor |
| B | LYS120 | electrostatic stabiliser, promote heterolysis |
| B | ASN122 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| B | SER123 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| B | ARG159 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| B | HIS190 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
