9BIK

Crystal structure of inhibitor 1 bound to HPK1

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, E, F, H... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
3	G, M (A, B)	(1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide	non-polymer		343.4	2	Chemie (A1APO)
4	N, O (A, B)	water	water		18.0	305	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	11
	Total formula weight	1245.4
All*	Total formula weight	71282.2

*Water molecules are not included.