2C3L

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	3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE	non-polymer		234.3	1	Chemie (IDZ)
3	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4		water	water		18.0	233	Chemie (HOH)

Sequence modifications

A: 1 - 289 (UniProt: O14757)
A: 290 - 297 (PDB: 2C3L)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34148.1
Non-Polymers*	Number of molecules	2
	Total formula weight	330.3
All*	Total formula weight	34478.5

*Water molecules are not included.