1S2V
Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II)
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 |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0032923 | biological_process | organic phosphonate biosynthetic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0050188 | molecular_function | phosphoenolpyruvate mutase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0016853 | molecular_function | isomerase activity |
| D | 0032923 | biological_process | organic phosphonate biosynthetic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0050188 | molecular_function | phosphoenolpyruvate mutase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG A 1001 |
| Chain | Residue |
| A | ASP85 |
| A | ARG159 |
| A | HOH1007 |
| A | HOH1114 |
| A | HOH1163 |
| A | HOH1211 |
| A | HOH1224 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG B 1002 |
| Chain | Residue |
| B | HOH1196 |
| B | HOH1234 |
| B | HOH1235 |
| B | HOH1236 |
| B | HOH1238 |
| B | ASP58 |
| B | ASP85 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG C 1003 |
| Chain | Residue |
| C | ASP58 |
| C | ASP85 |
| C | HOH1119 |
| C | HOH1193 |
| C | HOH1221 |
| C | HOH1242 |
| C | HOH1243 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 1004 |
| Chain | Residue |
| D | ASP85 |
| D | HOH1065 |
| D | HOH1187 |
| D | HOH1189 |
| D | HOH1196 |
| D | HOH1228 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000255 |
| Chain | Residue | Details |
| A | ASP58 | |
| B | ASP58 | |
| C | ASP58 | |
| D | ASP58 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ASP58 | |
| B | ASP58 | |
| C | ASP58 | |
| D | ASP58 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1pym |
| Chain | Residue | Details |
| A | ASP58 | |
| A | LEU48 | |
| A | GLY47 | |
| A | LYS120 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1pym |
| Chain | Residue | Details |
| B | ASP58 | |
| B | LEU48 | |
| B | GLY47 | |
| B | LYS120 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1pym |
| Chain | Residue | Details |
| C | ASP58 | |
| C | LEU48 | |
| C | GLY47 | |
| C | LYS120 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1pym |
| Chain | Residue | Details |
| D | ASP58 | |
| D | LEU48 | |
| D | GLY47 |
| site_id | MCSA1 |
| Number of Residues | 12 |
| Details | M-CSA 271 |
| Chain | Residue | Details |
| A | SER46 | electrostatic stabiliser, hydrogen bond donor, steric role |
| 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 |
| A | GLY47 | electrostatic stabiliser, steric role |
| A | LEU48 | electrostatic stabiliser, hydrogen bond donor, steric role |
| A | ASP58 | 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 |
| site_id | MCSA2 |
| Number of Residues | 12 |
| Details | M-CSA 271 |
| Chain | Residue | Details |
| B | SER46 | electrostatic stabiliser, hydrogen bond donor, steric role |
| 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 |
| B | GLY47 | electrostatic stabiliser, steric role |
| B | LEU48 | electrostatic stabiliser, hydrogen bond donor, steric role |
| B | ASP58 | 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 |
| site_id | MCSA3 |
| Number of Residues | 12 |
| Details | M-CSA 271 |
| Chain | Residue | Details |
| C | SER46 | electrostatic stabiliser, hydrogen bond donor, steric role |
| C | SER123 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| C | ARG159 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| C | HIS190 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| C | GLY47 | electrostatic stabiliser, steric role |
| C | LEU48 | electrostatic stabiliser, hydrogen bond donor, steric role |
| C | ASP58 | metal ligand, nucleofuge, nucleophile, promote heterolysis |
| C | ASP85 | electrostatic stabiliser, hydrogen bond donor, metal ligand |
| C | ASP87 | electrostatic stabiliser, hydrogen bond donor |
| C | GLU114 | electrostatic stabiliser, hydrogen bond donor |
| C | LYS120 | electrostatic stabiliser, promote heterolysis |
| C | ASN122 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| site_id | MCSA4 |
| Number of Residues | 12 |
| Details | M-CSA 271 |
| Chain | Residue | Details |
| D | SER46 | electrostatic stabiliser, hydrogen bond donor, steric role |
| D | SER123 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| D | ARG159 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| D | HIS190 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| D | GLY47 | electrostatic stabiliser, steric role |
| D | LEU48 | electrostatic stabiliser, hydrogen bond donor, steric role |
| D | ASP58 | metal ligand, nucleofuge, nucleophile, promote heterolysis |
| D | ASP85 | electrostatic stabiliser, hydrogen bond donor, metal ligand |
| D | ASP87 | electrostatic stabiliser, hydrogen bond donor |
| D | GLU114 | electrostatic stabiliser, hydrogen bond donor |
| D | LYS120 | electrostatic stabiliser, promote heterolysis |
| D | ASN122 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
