6JWZ
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613S triple mutant with SDX-DHP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase | polymer | 728 | 86019.6 | 2 | UniProt (Q25704) Pfam (PF01288) Pfam (PF00809) | Plasmodium falciparum (malaria parasite P. falciparum) | Dihydropteroate synthetase |
| 2 | C, K (A, B) | 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide | non-polymer | 487.5 | 2 | Chemie (CKL) | |||
| 3 | D, L (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 4 | E, M (A, B) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) | |||
| 5 | F, N (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 6 | G, O (A, B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 7 | H, P (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 8 | I, J (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 9 | Q, R (A, B) | water | water | 18.0 | 149 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 706 (UniProt: Q25704)
| PDB | External Database | Details |
|---|---|---|
| Phe 436 | Ser 436 | engineered mutation |
| Gly 437 | Ala 437 | engineered mutation |
| Ser 613 | Ala 613 | engineered mutation |
| Lys 707 | - | expression tag |
| Asp 708 | - | expression tag |
| Pro 709 | - | expression tag |
| Asn 710 | - | expression tag |
| Ser 711 | - | expression tag |
| Ser 712 | - | expression tag |
| Ser 713 | - | expression tag |
| Val 714 | - | expression tag |
| Asp 715 | - | expression tag |
| Lys 716 | - | expression tag |
| Leu 717 | - | expression tag |
| Ala 718 | - | expression tag |
| Ala 719 | - | expression tag |
| Ala 720 | - | expression tag |
| Leu 721 | - | expression tag |
| Glu 722 | - | expression tag |
| His 723 | - | expression tag |
| His 724 | - | expression tag |
| His 725 | - | expression tag |
| His 726 | - | expression tag |
| His 727 | - | expression tag |
| His 728 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 172039.1 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2318.5 | |
| All* | Total formula weight | 174357.6 |
