3BE2

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Vascular endothelial growth factor receptor 2	polymer	314	36284.6	1	UniProt (P35968) Pfam (PF07714)	Homo sapiens (human)	VEGFR-2, Kinase insert domain receptor, Protein-tyrosine kinase receptor Flk-1, CD309 antigen
2	B (A)	N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE	non-polymer		534.6	1	Chemie (RAJ)
3	C (A)	water	water		18.0	276	Chemie (HOH)

Sequence modifications

A: 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: 990 - 1171 (UniProt: P35968)

PDB	External Database	Details
Val 990	Glu 990	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36284.6
Non-Polymers*	Number of molecules	1
	Total formula weight	534.6
All*	Total formula weight	36819.2

*Water molecules are not included.