3ETA

Kinase domain of insulin receptor complexed with a pyrrolo pyridine 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)	insulin receptor, kinase domain	polymer	317	36156.3	2	UniProt (P06213) Pfam (PF07714)	Homo sapiens (human)	IR, Insulin receptor subunit alpha, Insulin receptor subunit beta
2	C, D (A, B)	1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea	non-polymer		525.6	2	Chemie (351)
3	E, F (A, B)	water	water		18.0	210	Chemie (HOH)

Sequence modifications

A, B: 990 - 1295 (UniProt: P06213)

PDB	External Database	Details
Met 979	-	expression tag
Lys 980	-	expression tag
Lys 981	-	expression tag
Gly 982	-	expression tag
His 983	-	expression tag
His 984	-	expression tag
His 985	-	expression tag
His 986	-	expression tag
His 987	-	expression tag
His 988	-	expression tag
Gly 989	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72312.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1051.2
All*	Total formula weight	73363.8

*Water molecules are not included.