3ZBF

Structure of Human ROS1 Kinase Domain in Complex with Crizotinib

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS	polymer	322	37014.5	1	UniProt (P08922) Pfam (PF07714)	HOMO SAPIENS (HUMAN)	PROTO-ONCOGENE C-ROS, PROTO-ONCOGENE C-ROS-1, RECEPTOR TYROSINE KINASE C-ROS ONCOGENE 1, C-ROS RECEPTOR TYROSINE KINASE
2	B (A)	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine	non-polymer		450.3	1	Chemie (VGH)
3	C (A)	water	water		18.0	137	Chemie (HOH)

Sequence modifications

A: 1934 - 2232 (UniProt: P08922)

PDB	External Database	Details
Met 1911	-	expression tag
Ala 1912	-	expression tag
His 1913	-	expression tag
His 1914	-	expression tag
His 1915	-	expression tag
His 1916	-	expression tag
His 1917	-	expression tag
His 1918	-	expression tag
Asp 1919	-	expression tag
Tyr 1920	-	expression tag
Gly 1921	-	expression tag
Ile 1922	-	expression tag
Pro 1923	-	expression tag
Thr 1924	-	expression tag
Thr 1925	-	expression tag
Glu 1926	-	expression tag
Asn 1927	-	expression tag
Leu 1928	-	expression tag
Tyr 1929	-	expression tag
Phe 1930	-	expression tag
Gln 1931	-	expression tag
Gly 1932	-	expression tag
Ser 1933	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37014.5
Non-Polymers*	Number of molecules	1
	Total formula weight	450.3
All*	Total formula weight	37464.8

*Water molecules are not included.