6JWW

Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613T triple mutant with STZ-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	7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase	polymer	728	86033.6	2	UniProt (Q25704) Pfam (PF01288) Pfam (PF00809) In PDB	Plasmodium falciparum (malaria parasite P. falciparum)	Dihydropteroate synthetase
2	A, B	4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide	non-polymer		432.5	2	Chemie (XTZ)
3	A	2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE	non-polymer		195.2	1	Chemie (PH2)
4	A	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
5	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	A, B	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
7	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
8	B	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP)
9		water	water		18.0	254	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
Thr 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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	172067.2
Non-Polymers*	Number of molecules	13
	Total formula weight	2279.5
All*	Total formula weight	174346.6

*Water molecules are not included.