5C4G

Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Ras-related protein Rab-11A	polymer	219	24691.8	1	UniProt (P62491) Pfam (PF00071)	Homo sapiens (Human)	Rab-11,YL8
2	B (E)	Phosphatidylinositol 4-kinase beta	polymer	529	60683.8	1	UniProt (Q9UBF8) Pfam (PF21245) Pfam (PF00454)	Homo sapiens (Human)	PtdIns 4-kinase beta,NPIK,PI4K92
3	C (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	D (B)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
5	E, F (E)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	G (E)	N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide	non-polymer		352.4	1	Chemie (BQR)

Sequence modifications

B: 1 - 216 (UniProt: P62491)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Leu 70	Gln 70	engineered mutation

E: 121 - 287 (UniProt: Q9UBF8)

PDB	External Database	Details
Gly 117	-	expression tag
Ser 118	-	expression tag
His 119	-	expression tag
Met 120	-	expression tag

E: 288 - 507 (UniProt: Q9UBF8)

PDB	External Database	Details
Ala 294	Ser 294	engineered mutation

E: 508 - 784 (UniProt: Q9UBF8)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85375.7
Non-Polymers*	Number of molecules	5
	Total formula weight	1012.0
All*	Total formula weight	86387.7

*Water molecules are not included.