7AKM

Crystal structure of CHK1 kinase domain in complex with ATPyS

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)	Serine/threonine-protein kinase Chk1	polymer	298	34213.2	2	UniProt (O14757) Pfam (PF00069)	Homo sapiens (Human)	CHK1 checkpoint homolog,Cell cycle checkpoint kinase,Checkpoint kinase-1
2	C (A)	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER	non-polymer		523.2	1	Chemie (AGS)
3	D, E, P (A, B)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	F, G, H, I, J... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
5	O (B)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
6	Q, R (A, B)	water	water		18.0	434	Chemie (HOH)

Sequence modifications

A, B: 2 - 287 (UniProt: O14757)

PDB	External Database	Details
Gly -2	-	expression tag
Pro -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Arg 10	Asp 10	engineered mutation
His 288	-	expression tag
His 289	-	expression tag
His 290	-	expression tag
His 291	-	expression tag
His 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68426.4
Non-Polymers*	Number of molecules	14
	Total formula weight	1346.9
All*	Total formula weight	69773.3

*Water molecules are not included.