7Q4A

Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib

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)	Non-specific serine/threonine protein kinase	polymer	370	42877.2	2	UniProt (S7UT92) Pfam (PF00069)	Toxoplasma gondii
2	C, F (A, B)	Altiratinib	non-polymer		510.5	2	Chemie (A9I)
3	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	G (B)	THIOCYANATE ION	non-polymer		58.1	1	Chemie (SCN)
6	H, I (A, B)	water	water		18.0	22	Chemie (HOH)

Sequence modifications

A, B: 2 - 362 (UniProt: S7UT92)

PDB	External Database	Details
Met 1	-	initiating methionine
Ser 39	Cys 571	conflict
Phe 183	Leu 715	conflict
His 363	-	expression tag
His 364	-	expression tag
His 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85754.4
Non-Polymers*	Number of molecules	5
	Total formula weight	1277.2
All*	Total formula weight	87031.6

*Water molecules are not included.