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9BI8

Crystal structure of inhibitor GNE-6893 bound to HPK1

This is a non-PDB format compatible entry.
Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B
(A, B)
Mitogen-activated protein kinase kinase kinase kinase 1polymer31135018.42UniProt (Q92918)
Pfam (PF00069)
Homo sapiens (human)Hematopoietic progenitor kinase,MAPK/ERK kinase kinase kinase 1,MEK kinase kinase 1,MEKKK 1
2C, E
(A, B)
(3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamatenon-polymer453.52Chemie (A1APL)
3D
(B)
DIMETHYL SULFOXIDEnon-polymer78.11Chemie (DMS)
4F
(B)
SODIUM IONnon-polymer23.01Chemie (NA)
5G, H
(A, B)
waterwater18.0145Chemie (HOH)
Sequence modifications
A, B: 2 - 293 (UniProt: Q92918)
PDBExternal DatabaseDetails
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 165Thr 165conflict
Glu 171Ser 171conflict
Gly 294-expression tag
Asn 295-expression tag
Ser 296-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight70036.9
Non-Polymers*Number of molecules4
Total formula weight1008.1
All*Total formula weight71044.9
*Water molecules are not included.

239149

PDB entries from 2025-07-23

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