8VB5: Kinase domain of HER2 Exon 20 insertion mutant

Crystal structure of kinase domain of HER2 Exon 20 insertion mutant in complex with tucatinib. Determined by X-ray diffraction at 1.48 Å resolution. Released 18 Dec 2024.

Method: X-ray diffraction
Resolution: 1.48 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,727
Mol. weight: 39.69 kDa
Ligands: A1AAC
Released: 18 Dec 2024

Explore 8VB5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8VB5 contains 21 α-helices and 12 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 21 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	713	1
β-strand	714	1	1
α-helix	715-716	2
α-helix	717-719	3
β-strand	720-729	10	1
β-strand	732-739	8	1
β-strand	748-755	8	1
α-helix	756	1
α-helix	761-775C	18
β-strand	782	1	2
β-strand	785-790	6	1
β-strand	794-799	6	1
β-strand	805	1	2
α-helix	806-812	7
α-helix	819-838	20
α-helix	848-850	3
β-strand	851-855	5	2
β-strand	858-861	4	2
α-helix	869-871	3
α-helix	886-888	3
α-helix	891-896	6
α-helix	901-916	16
α-helix	920-921	2
α-helix	928-930	3
α-helix	931-937	7
α-helix	941-944	4
β-strand	947	1	3
α-helix	949-958	10
α-helix	963-965	3
α-helix	967-968	2
α-helix	969-981	13
α-helix	983-985	3
β-strand	987	1	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Receptor tyrosine-protein kinase erbB-2	A	protein	342	Homo sapiens	P04626 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8VB5_1 Receptor tyrosine-protein kinase erbB-2 (chains A)
MSGAAPNQALLRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSP
KANKEILDEAYVMAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRL
GSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEY
HADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEK
GERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPA
SPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGAAASHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
A1AAC	Tucatinib	C26 H24 N8 O2	1

Water and common crystallization additives (CL, PEG, EDO) are not listed.

Primary citation

Crystal structure of kinase domain of HER2 Exon 20 insertion mutant in complex with tucatinib. Rana, N., Campbell, J., Dou, Y. To be published.

Other PDB entries of the same protein (UniProt P04626 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1MFG 1.25 Å, The Structure of ERBIN PDZ domain bound to the Carboxy-terminal tail of the ErbB2 Receptor
8JYR 1.69 Å, Crystal structure of anti-HER2 antibody H2Mab-119 in complex with HER2 domain I
8U8X 1.69 Å, crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase…
8JYQ 1.75 Å, Crystal structure of cancer-specific anti-HER2 antibody H2Mab-214 in complex with…
7PCD 1.77 Å, HER2 in complex with a covalent inhibitor
5TQS 1.88 Å, Phospholipase C gamma-1 C-terminal SH2 domain bound to a phosphopeptide derived from the…
1MFL 1.88 Å, The Structure of ERBIN PDZ domain bound to the Carboxy-terminal tail of the ErbB2 Receptor
4GFU 2.0 Å, PTPN18 in complex with HER2-pY1248 phosphor-peptides
6LBX 2.03 Å, Crystal structure of HER2 Domain IV and Rb-H2
9IUT 2.09 Å, Crystal structure of cancer-specific anti-HER2 antibody H2Mab-250 in complex with…
5MY6 2.25 Å, Crystal structure of a HER2-Nb complex
3PP0 2.25 Å, Crystal Structure of the Kinase domain of Human HER2 (erbB2).

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