2C3K

Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	SERINE/THREONINE-PROTEIN KINASE CHK1	polymer	297	34148.1	1	UniProt (O14757) Pfam (PF00069) In PDB	HOMO SAPIENS (HUMAN)	CHK1 KINASE
2	A	4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL	non-polymer		356.4	1	Chemie (ABO)
3		water	water		18.0	124	Chemie (HOH)

Sequence modifications

A: 1 - 289 (UniProt: O14757)
A: 290 - 297 (PDB: 2C3K)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34148.1
Non-Polymers*	Number of molecules	1
	Total formula weight	356.4
All*	Total formula weight	34504.5

*Water molecules are not included.