7EM5

Crystal structure of the PI5P4Kbeta F205L-XTP complex

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)	Phosphatidylinositol 5-phosphate 4-kinase type-2 beta	polymer	393	44894.9	2	UniProt (P78356) Pfam (PF01504)	Homo sapiens (Human)	1-phosphatidylinositol 5-phosphate 4-kinase 2-beta,Diphosphoinositide kinase 2-beta,Phosphatidylinositol 5-phosphate 4-kinase type II beta,PI(5)P 4-kinase type II beta,PIP4KII-beta,PtdIns(5)P-4-kinase isoform 2-beta
2	C, E (A, B)	[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate	non-polymer		444.2	2	Chemie (CZC)
3	D (A)	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate	non-polymer		524.2	1	Chemie (CZF)
4	F (A)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, B: 31 - 416 (UniProt: P78356)

PDB	External Database	Details
Gly 24	-	expression tag
Pro 25	-	expression tag
Asn 26	-	expression tag
Cys 27	-	expression tag
Ala 28	-	expression tag
Pro 29	-	expression tag
Gly 30	-	expression tag
Leu 205	Phe 205	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	89789.8
Non-Polymers*	Number of molecules	3
	Total formula weight	1412.5
All*	Total formula weight	91202.3

*Water molecules are not included.