5F9E

Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one

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)	Protein kinase C theta type	polymer	353	41955.2	2	UniProt (Q04759) Pfam (PF00069) Pfam (PF00433)	Homo sapiens (Human)	nPKC-theta
2	C, D (A, B)	2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one	non-polymer		399.4	2	Chemie (5VS)
3	E, F (A, B)	water	water		18.0	164	Chemie (HOH)

Sequence modifications

A, B: 361 - 706 (UniProt: Q04759)

PDB	External Database	Details
Met 360	-	initiating methionine
Glu 381	Ile 381	conflict
Glu 538	Thr 538	conflict
His 707	-	expression tag
His 708	-	expression tag
His 709	-	expression tag
His 710	-	expression tag
His 711	-	expression tag
His 712	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83910.3
Non-Polymers*	Number of molecules	2
	Total formula weight	798.9
All*	Total formula weight	84709.2

*Water molecules are not included.