2P2I

Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide 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	36282.6	2	UniProt (P35968) Pfam (PF07714)	Homo sapiens (human)	VEGFR-2, Kinase insert domain receptor, Protein-tyrosine kinase receptor Flk-1, CD309 antigen
2	C, D (A, B)	N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide	non-polymer		396.4	2	Chemie (608)
3	E, F (A, B)	water	water		18.0	122	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 817	Cys 817	engineered mutation
Arg 1172	-	cloning artifact
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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72565.2
Non-Polymers*	Number of molecules	2
	Total formula weight	792.9
All*	Total formula weight	73358.1

*Water molecules are not included.