7PCD: HER2

HER2 in complex with a covalent inhibitor. Determined by X-ray diffraction at 1.77 Å resolution. Released 27 Jul 2022.

Method: X-ray diffraction
Resolution: 1.77 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,340
Mol. weight: 37.62 kDa
Ligands: 70I
Released: 27 Jul 2022

Explore 7PCD in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7PCD contains 20 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: 20 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	720-728	9	1
β-strand	732-739	8	1
β-strand	748-755	8	1
α-helix	756	1
α-helix	761-773	13
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	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	969-980	12
α-helix	983-986	4
β-strand	987	1	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Receptor tyrosine-protein kinase erbB-2	A	protein	327	Homo sapiens	P04626 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7PCD_1 Receptor tyrosine-protein kinase erbB-2 (chains A)
SGAAPNQALLRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPK
ANKEILDEAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDL
LNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGG
KVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLP
QPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDS
TFYRSLLEDDDMGDLVDAEEYLVPQQG

Ligands and cofactors

ID	Name	Formula	Copies
70I	1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]am…	C29 H28 Cl2 F N11 O2	1

Primary citation

Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling. Wilding, B., Scharn, D., Bose, D. et al. Nat Cancer (2022) 3:821-836. DOI 10.1038/s43018-022-00412-y · PubMed

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
8VB5 1.48 Å, Crystal structure of kinase domain of HER2 Exon 20 insertion mutant in complex with…
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…
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).

Browse structure collections

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