6JWZ
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613S triple mutant with SDX-DHP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0003848 | molecular_function | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity |
| A | 0004156 | molecular_function | dihydropteroate synthase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005740 | cellular_component | mitochondrial envelope |
| A | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0042558 | biological_process | pteridine-containing compound metabolic process |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046656 | biological_process | folic acid biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0003848 | molecular_function | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity |
| B | 0004156 | molecular_function | dihydropteroate synthase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005740 | cellular_component | mitochondrial envelope |
| B | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0042558 | biological_process | pteridine-containing compound metabolic process |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0046656 | biological_process | folic acid biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue CKL A 801 |
| Chain | Residue |
| A | ASP482 |
| A | LYS609 |
| A | ARG610 |
| A | ARG686 |
| A | PO4802 |
| A | HOH927 |
| A | ASN502 |
| A | MET529 |
| A | ASP539 |
| A | ASP575 |
| A | GLY579 |
| A | PHE580 |
| A | PHE603 |
| A | GLY605 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue PO4 A 802 |
| Chain | Residue |
| A | ILE394 |
| A | ASN396 |
| A | ARG686 |
| A | HIS688 |
| A | CKL801 |
| A | HOH950 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | binding site for residue AMP A 803 |
| Chain | Residue |
| A | LEU181 |
| A | LYS185 |
| A | ASP208 |
| A | ASP210 |
| A | ILE211 |
| A | ASN312 |
| A | ILE313 |
| A | GLU314 |
| A | PHE315 |
| A | LEU316 |
| A | SER317 |
| A | HIS320 |
| A | MG804 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 804 |
| Chain | Residue |
| A | ASP208 |
| A | ASP210 |
| A | AMP803 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CA A 805 |
| Chain | Residue |
| A | GLU42 |
| A | GLY46 |
| A | GLU99 |
| A | HOH964 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue ACT A 806 |
| Chain | Residue |
| A | HIS530 |
| A | ARG532 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue PEG A 807 |
| Chain | Residue |
| A | TYR676 |
| A | LYS680 |
| A | PEG808 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 808 |
| Chain | Residue |
| A | ASP704 |
| A | PEG807 |
| B | TYR676 |
| B | LYS680 |
| site_id | AC9 |
| Number of Residues | 17 |
| Details | binding site for residue CKL B 801 |
| Chain | Residue |
| B | PHE436 |
| B | ASP482 |
| B | ASN502 |
| B | ILE504 |
| B | MET529 |
| B | ASP539 |
| B | ASP575 |
| B | GLY579 |
| B | PHE580 |
| B | PHE603 |
| B | GLY605 |
| B | LYS609 |
| B | ARG610 |
| B | ARG686 |
| B | PO4802 |
| B | HOH909 |
| B | HOH938 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 B 802 |
| Chain | Residue |
| B | ARG686 |
| B | HIS688 |
| B | CKL801 |
| B | HOH905 |
| B | HOH931 |
| site_id | AD2 |
| Number of Residues | 11 |
| Details | binding site for residue AMP B 803 |
| Chain | Residue |
| B | ASP208 |
| B | ILE211 |
| B | ASN312 |
| B | ILE313 |
| B | GLU314 |
| B | PHE315 |
| B | LEU316 |
| B | SER317 |
| B | HIS320 |
| B | MG804 |
| B | HOH902 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue MG B 804 |
| Chain | Residue |
| B | ASP208 |
| B | ASP210 |
| B | AMP803 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue CA B 805 |
| Chain | Residue |
| B | GLU42 |
| B | GLY46 |
| B | GLU99 |
| B | HOH967 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue ACT B 806 |
| Chain | Residue |
| A | ASN510 |
| B | HIS530 |
| B | ARG532 |
| B | HOH946 |
