5ETL
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.82 angstrom resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| 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 | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046656 | biological_process | folic acid biosynthetic process |
| 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 | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0046656 | biological_process | folic acid biosynthetic process |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0003848 | molecular_function | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| C | 0016301 | molecular_function | kinase activity |
| C | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| C | 0046656 | biological_process | folic acid biosynthetic process |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0003848 | molecular_function | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| D | 0016301 | molecular_function | kinase activity |
| D | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| D | 0046656 | biological_process | folic acid biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue CA A 201 |
| Chain | Residue |
| A | ASP95 |
| A | ASP97 |
| A | ATP205 |
| A | HOH324 |
| A | HOH368 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue CA A 202 |
| Chain | Residue |
| A | HOH415 |
| A | ASP95 |
| A | ASP97 |
| A | ATP205 |
| A | HOH413 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 203 |
| Chain | Residue |
| A | HOH302 |
| A | HOH359 |
| A | HOH372 |
| B | HOH311 |
| B | HOH354 |
| B | HOH372 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 204 |
| Chain | Residue |
| A | LYS119 |
| A | PHE137 |
| A | PRO138 |
| A | ASP139 |
| A | HOH425 |
| A | HOH430 |
| site_id | AC5 |
| Number of Residues | 25 |
| Details | binding site for residue ATP A 205 |
| Chain | Residue |
| A | GLN74 |
| A | ARG82 |
| A | ARG84 |
| A | ARG92 |
| A | ASP95 |
| A | ASP97 |
| A | ILE98 |
| A | ARG110 |
| A | LEU111 |
| A | THR112 |
| A | HIS115 |
| A | TYR116 |
| A | ARG121 |
| A | GLN145 |
| A | HIS148 |
| A | CA201 |
| A | CA202 |
| A | HOH309 |
| A | HOH313 |
| A | HOH324 |
| A | HOH340 |
| A | HOH358 |
| A | HOH368 |
| A | HOH370 |
| A | HOH383 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | binding site for residue 5RV A 206 |
| Chain | Residue |
| A | THR42 |
| A | PRO43 |
| A | LEU45 |
| A | GLY46 |
| A | TYR53 |
| A | ASN55 |
| A | ARG121 |
| A | PHE123 |
| A | HOH315 |
| B | TYR116 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue CA B 201 |
| Chain | Residue |
| B | ASP95 |
| B | ASP97 |
| B | ATP203 |
| B | HOH306 |
| B | HOH359 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue CA B 202 |
| Chain | Residue |
| B | ASP95 |
| B | ASP97 |
| B | ATP203 |
| B | HOH387 |
| B | HOH395 |
| site_id | AC9 |
| Number of Residues | 23 |
| Details | binding site for residue ATP B 203 |
| Chain | Residue |
| B | GLN74 |
| B | ARG82 |
| B | ARG84 |
| B | ARG92 |
| B | ASP95 |
| B | ASP97 |
| B | ILE98 |
| B | ARG110 |
| B | LEU111 |
| B | THR112 |
| B | HIS115 |
| B | TYR116 |
| B | ARG121 |
| B | GLN145 |
| B | HIS148 |
| B | CA201 |
| B | CA202 |
| B | HOH306 |
| B | HOH359 |
| B | HOH360 |
| B | HOH363 |
| B | HOH371 |
| B | HOH387 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue 5RV B 204 |
| Chain | Residue |
| B | THR42 |
| B | PRO43 |
| B | LEU45 |
| B | TYR53 |
| B | ASN55 |
| B | ARG121 |
| B | PHE123 |
| B | HOH308 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue CA C 201 |
| Chain | Residue |
| C | ASP97 |
| C | ATP204 |
| C | HOH317 |
| C | HOH384 |
| C | ASP95 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue CA C 202 |
| Chain | Residue |
| C | ASP95 |
| C | ASP97 |
| C | ATP204 |
| C | HOH385 |
| C | HOH410 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue CA C 203 |
| Chain | Residue |
| C | HOH347 |
| C | HOH375 |
| C | HOH400 |
| C | HOH431 |
| D | HOH303 |
| D | HOH364 |
| D | HOH411 |
| site_id | AD5 |
| Number of Residues | 22 |
| Details | binding site for residue ATP C 204 |
| Chain | Residue |
| C | GLN74 |
| C | ARG82 |
| C | ARG84 |
| C | ARG92 |
| C | ASP95 |
| C | ASP97 |
| C | ILE98 |
| C | ARG110 |
| C | LEU111 |
| C | THR112 |
| C | HIS115 |
| C | TYR116 |
| C | ARG121 |
| C | GLN145 |
| C | HIS148 |
| C | CA201 |
| C | CA202 |
| C | HOH317 |
| C | HOH340 |
| C | HOH380 |
| C | HOH381 |
| C | HOH384 |
| site_id | AD6 |
| Number of Residues | 10 |
| Details | binding site for residue 5RV C 205 |
| Chain | Residue |
| C | THR42 |
| C | PRO43 |
| C | LEU45 |
| C | TYR53 |
| C | ASN55 |
| C | ARG121 |
| C | PHE123 |
| C | HOH337 |
| C | HOH385 |
| D | TYR116 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue CA D 201 |
| Chain | Residue |
| D | ASP95 |
| D | ASP97 |
| D | ATP203 |
| D | HOH317 |
| D | HOH378 |
| site_id | AD8 |
| Number of Residues | 5 |
| Details | binding site for residue CA D 202 |
| Chain | Residue |
| D | ASP95 |
| D | ASP97 |
| D | ATP203 |
| D | HOH388 |
| D | HOH405 |
| site_id | AD9 |
| Number of Residues | 25 |
| Details | binding site for residue ATP D 203 |
| Chain | Residue |
| D | GLN74 |
| D | ARG82 |
| D | ARG84 |
| D | TRP89 |
| D | ARG92 |
| D | ASP95 |
| D | ASP97 |
| D | ILE98 |
| D | ARG110 |
| D | LEU111 |
| D | THR112 |
| D | HIS115 |
| D | TYR116 |
| D | ARG121 |
| D | GLN145 |
| D | HIS148 |
| D | CA201 |
| D | CA202 |
| D | HOH305 |
| D | HOH317 |
| D | HOH327 |
| D | HOH354 |
| D | HOH378 |
| D | HOH387 |
| D | HOH402 |
| site_id | AE1 |
| Number of Residues | 13 |
| Details | binding site for residue 5RV D 204 |
| Chain | Residue |
| C | TYR116 |
| D | THR42 |
| D | PRO43 |
| D | LEU45 |
| D | GLY46 |
| D | TYR53 |
| D | ASN55 |
| D | TRP89 |
| D | ARG121 |
| D | PHE123 |
| D | HOH333 |
| D | HOH388 |
| D | HOH405 |
Functional Information from PROSITE/UniProt
| site_id | PS00794 |
| Number of Residues | 12 |
| Details | HPPK 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase signature. RwGPRtlDLDIM |
| Chain | Residue | Details |
| A | ARG88-MET99 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 151 |
| Chain | Residue | Details |
| A | ARG82 | electrostatic stabiliser, hydrogen bond donor |
| A | ARG92 | 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 | ARG82 | electrostatic stabiliser, hydrogen bond donor |
| B | ARG92 | electrostatic stabiliser, hydrogen bond donor |
| B | ASP95 | metal ligand |
| B | ASP97 | metal ligand |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 151 |
| Chain | Residue | Details |
| C | ARG82 | electrostatic stabiliser, hydrogen bond donor |
| C | ARG92 | electrostatic stabiliser, hydrogen bond donor |
| C | ASP95 | metal ligand |
| C | ASP97 | metal ligand |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 151 |
| Chain | Residue | Details |
| D | ARG82 | electrostatic stabiliser, hydrogen bond donor |
| D | ARG92 | electrostatic stabiliser, hydrogen bond donor |
| D | ASP95 | metal ligand |
| D | ASP97 | metal ligand |
