5DGZ

Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors

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 pim-1	polymer	299	34447.1	1	UniProt (P11309) Pfam (PF00069) In PDB	Homo sapiens (Human)
2	A	(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE	non-polymer		397.5	1	Chemie (L20)
3	A	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4		water	water		18.0	87	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	3
	Total formula weight	587.4
All*	Total formula weight	35034.6

*Water molecules are not included.