2QU6

Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor

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)	Vascular endothelial growth factor receptor 2	polymer	314	36284.6	2	UniProt (P35968) Pfam (PF07714)	Homo sapiens (human)	VEGFR-2, Kinase insert domain receptor, Protein-tyrosine kinase receptor Flk-1, CD309 antigen
2	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	D, E (A, B)	4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide	non-polymer		508.0	2	Chemie (857)
4	F, G (A, B)	water	water		18.0	232	Chemie (HOH)

Sequence modifications

A, B: 815 - 939 (UniProt: P35968)

PDB	External Database	Details
Ala 817	Cys 817	engineered mutation
Thr 916	Val 916	engineered mutation
Arg 1172	-	expression tag
His 1173	-	expression tag
His 1174	-	expression tag
His 1175	-	expression tag
His 1176	-	expression tag
His 1177	-	expression tag
His 1178	-	expression tag

A, B: 990 - 1171 (UniProt: P35968)

PDB	External Database	Details
Val 990	Glu 990	engineered mutation
Ptr 1054	Tyr 1054	modified residue
Ptr 1059	Tyr 1059	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72569.2
Non-Polymers*	Number of molecules	3
	Total formula weight	1112.0
All*	Total formula weight	73681.2

*Water molecules are not included.