9N9X

Structure of HPK1 with C5 bound at its active site

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Mitogen-activated protein kinase kinase kinase kinase 1	polymer	311	35018.4	2	UniProt (Q92918) Pfam (PF00069)	Homo sapiens (human)	Hematopoietic progenitor kinase,MAPK/ERK kinase kinase kinase 1,MEK kinase kinase 1,MEKKK 1
2	C, D, G, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
3	E, I (A, B)	(1R,2S)-2-cyanocyclopentyl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate	non-polymer		462.5	2	Chemie (A1BWL)
4	F, J (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	K, L (A, B)	water	water		18.0	111	Chemie (HOH)

Sequence modifications

A, B: 2 - 293 (UniProt: Q92918)

PDB	External Database	Details
Met -14	-	initiating methionine
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Glu 165	Thr 165	conflict
Glu 171	Ser 171	conflict
Gly 294	-	expression tag
Asn 295	-	expression tag
Ser 296	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70036.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1219.2
All*	Total formula weight	71256.1

*Water molecules are not included.