7OAK

Crystal structure of pseudokinase CASK in complex with compound 26

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 (A, B, C, D)	Peripheral plasma membrane protein CASK	polymer	353	39505.4	4	UniProt (O14936) Pfam (PF00069)	Homo sapiens (Human)	hCASK,Calcium/calmodulin-dependent serine protein kinase,Protein lin-2 homolog
2	E, K, R, W (A, B, C, D)	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide	non-polymer		610.3	4	Chemie (V6B)
3	AA, BA, F, G, H... (D, A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	20	Chemie (EDO)
4	CA, DA, EA, FA (A, B, C, D)	water	water		18.0	394	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	24
	Total formula weight	3682.7
All*	Total formula weight	161704.5

*Water molecules are not included.