1G4C
CRYSTAL STRUCTURE OF A COMPLEX OF HPPK(R92A) FROM E.COLI WITH MG2+ AT 1.65 ANGSTROM RESOLUTION
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003848 | molecular_function | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046656 | biological_process | folic acid biosynthetic process |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003848 | molecular_function | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0046656 | biological_process | folic acid biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 361 |
| Chain | Residue |
| A | HOH486 |
| A | HOH504 |
| A | HOH540 |
| B | HOH451 |
| B | HOH517 |
| B | HOH544 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG B 362 |
| Chain | Residue |
| B | ASP295 |
| B | ASP297 |
| B | MG363 |
| B | HOH406 |
| A | GLU16 |
| A | HOH424 |
| A | HOH534 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG B 363 |
| Chain | Residue |
| A | HOH424 |
| B | ASP295 |
| B | ASP297 |
| B | MG362 |
| B | HOH431 |
| B | HOH466 |
| B | HOH545 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 364 |
| Chain | Residue |
| A | LYS119 |
| A | PRO138 |
| A | ASP139 |
| A | HOH622 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 365 |
| Chain | Residue |
| A | HOH794 |
| B | LYS319 |
| B | PRO338 |
| B | ASP339 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 366 |
| Chain | Residue |
| A | TRP158 |
| B | HOH409 |
| B | HOH547 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1hka |
| Chain | Residue | Details |
| A | ALA92 | |
| A | ARG82 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1hka |
| Chain | Residue | Details |
| B | ALA292 | |
| B | ARG282 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 151 |
| Chain | Residue | Details |
| A | ARG82 | electrostatic stabiliser, hydrogen bond donor |
| A | ALA92 | electrostatic stabiliser, hydrogen bond donor |
| A | ASP95 | metal ligand |
| A | ASP97 | metal ligand |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 151 |
| Chain | Residue | Details |
| B | ARG282 | electrostatic stabiliser, hydrogen bond donor |
| B | ALA292 | electrostatic stabiliser, hydrogen bond donor |
| B | ASP295 | metal ligand |
| B | ASP297 | metal ligand |
