35WG

Crystal structure of CHK1 in complex with BBI-355

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Serine/threonine-protein kinase Chk1	polymer	280	32381.3	1	UniProt (O14757) Pfam (PF00069)	Homo sapiens (human)	CHK1 checkpoint homolog,Cell cycle checkpoint kinase,Checkpoint kinase-1
2	B (A)	5-{[(5M)-5-(4-{[(1R,3S)-3-aminocyclopentyl]oxy}-2-methoxy-6-methylpyridin-3-yl)-1H-pyrazol-3-yl]amino}pyrazine-2-carbonitrile	non-polymer		406.4	1	Chemie (A1DNI)
3	C, D, E, F, G... (A)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
4	J (A)	water	water		18.0	214	Chemie (HOH)

Sequence modifications

A: 1 - 274 (UniProt: O14757)

PDB	External Database	Details
Glu 275	-	expression tag
Asn 276	-	expression tag
Leu 277	-	expression tag
Tyr 278	-	expression tag
Phe 279	-	expression tag
Gln 280	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	32381.3
Non-Polymers*	Number of molecules	8
	Total formula weight	840.9
All*	Total formula weight	33222.2

*Water molecules are not included.