6YKD

Human Pim-1 kinase in complex with an inhibitor identified by 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 (A)	Serine/threonine-protein kinase pim-1	polymer	329	37632.6	1	UniProt (P11309) Pfam (PF00069)	Homo sapiens (Human)
2	B (A)	~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide	non-polymer		389.4	1	Chemie (OWB)
3	C, D (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	E (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	F (A)	water	water		18.0	200	Chemie (HOH)

Sequence modifications

A: 1 - 313 (UniProt: P11309)

PDB	External Database	Details
Met -15	-	initiating methionine
Gly -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Ser -5	-	expression tag
Gln -4	-	expression tag
Asp -3	-	expression tag
Pro -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37632.6
Non-Polymers*	Number of molecules	4
	Total formula weight	632.7
All*	Total formula weight	38265.3

*Water molecules are not included.