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) | 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) PubChem (145945983) | |||
| 3 | D, L (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) PubChem (1061) | |||
| 4 | E, M (A, B) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) PubChem (224) PubChem (34768) PubChem (83862) PubChem (446048) PubChem (515384) PubChem (638042) PubChem (5316444) PubChem (5742864) PubChem (12163610) PubChem (12358355) PubChem (16397049) PubChem (16760266) PubChem (40467049) PubChem (40469468) PubChem (44348067) PubChem (45358029) PubChem (46874558) PubChem (40459109) PubChem (46875232) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (92144436) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (12358354) PubChem (122197642) PubChem (162290139) PubChem (162946266) PubChem (171699505) | |||
| 5 | F, N (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) PubChem (888) | |||
| 6 | G, O (A, B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) PubChem (271) | |||
| 7 | H, P (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) PubChem (175) | |||
| 8 | I, J (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) | |||
| 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 |
