7OAJ

Crystal structure of pseudokinase CASK in complex with compound 7

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Peripheral plasma membrane protein CASK	polymer	353	39505.4	4	UniProt (O14936) Pfam (PF00069) In PDB	Homo sapiens (Human)	hCASK,Calcium/calmodulin-dependent serine protein kinase,Protein lin-2 homolog
2	D, A, B, C	4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide	non-polymer		505.4	4	Chemie (V6E)
3	D, A, B, C	1,2-ETHANEDIOL	non-polymer		62.1	22	Chemie (EDO)
4		water	water		18.0	549	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 337 (UniProt: O14936)

PDB	External Database	Details
Ser -15	-	expression tag
Met -14	-	expression tag
Gly -13	-	expression tag
Ser -12	-	expression tag
Pro -11	-	expression tag
Gly -10	-	expression tag
Ile -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Gly -6	-	expression tag
Gly -5	-	expression tag
Gly -4	-	expression tag
Gly -3	-	expression tag
Ile -2	-	expression tag
Arg -1	-	expression tag
Thr 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	158021.8
Non-Polymers*	Number of molecules	26
	Total formula weight	3387.3
All*	Total formula weight	161409.0

*Water molecules are not included.