2CGU

Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening

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	2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID	non-polymer		343.3	1	Chemie (3A3)
3		water	water		18.0	156	Chemie (HOH)

Sequence modifications

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34148.1
Non-Polymers*	Number of molecules	1
	Total formula weight	343.3
All*	Total formula weight	34491.4

*Water molecules are not included.