5V80

PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)

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	299	34447.1	1	UniProt (P11309) Pfam (PF00069)	Homo sapiens (Human)
2	B (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
3	C (A)	1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one	non-polymer		392.5	1	Chemie (971)
4	D (A)	water	water		18.0	78	Chemie (HOH)

Sequence modifications

A: 29 - 313 (UniProt: P11309)

PDB	External Database	Details
Met 28	-	initiating methionine
Lys 314	-	expression tag
Leu 315	-	expression tag
Ala 316	-	expression tag
Ala 317	-	expression tag
Ala 318	-	expression tag
Leu 319	-	expression tag
Glu 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag
His 326	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34447.1
Non-Polymers*	Number of molecules	2
	Total formula weight	487.4
All*	Total formula weight	34934.6

*Water molecules are not included.