9DXX: Hemagglutinin HA1 chain

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with D-peptide. Determined by X-ray diffraction at 2.37 Å resolution. Released 25 Jun 2025.

Method
X-ray diffraction
Resolution
2.37 Å
Organisms
Influenza A virus (A/Puerto Rico/8/1934(H1N1)), Phage display vector pdvec0
Chains
3
Atoms
4,524
Mol. weight
62.88 kDa
Ligands
TOE, NAG
Released
25 Jun 2025

Explore 9DXX in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9DXX contains 16 α-helices and 57 β-strands across 3 chains. 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: 10 helices, 43 β-strands

ElementResiduesLengthSheet
β-strand12-1761
β-strand1812
β-strand25-2623
β-strand34-3523
β-strand3614
β-strand39-4135
β-strand43-4426
β-strand51-5447
β-strand5617
α-helix57-582
β-strand59-6248
β-strand6419
α-helix66-716
α-helix74-796
β-strand83A110
β-strand87-8938
β-strand9519
β-strand102110
α-helix105-1128
β-strand115-122810
α-helix125A-1264
β-strand131-132211
β-strand136-141612
β-strand144-146312
β-strand151-153310
β-strand154-155211
β-strand157113
β-strand160113
α-helix162-1632
β-strand164-169614
β-strand176-184910
α-helix188-1958
β-strand202-205414
β-strand210-213414
β-strand229-237910
α-helix2381
β-strand242-247614
β-strand251-254410
β-strand256-262710
β-strand267-26938
α-helix272-2732
β-strand274-27967
β-strand281-282215
β-strand287115
β-strand294-29526
β-strand301116
β-strand302-303215
β-strand305117
α-helix3061
β-strand307-30826
β-strand315-31735
β-strand32114
β-strand324118
Chain B: 5 helices, 10 β-strands
ElementResiduesLengthSheet
β-strand6119
β-strand10119
β-strand13118
β-strand1412
β-strand22-2871
β-strand31-3661
α-helix38-5922
β-strand62117
β-strand65116
α-helix75-12652
α-helix127-1293
β-strand130-13451
β-strand137-14041
α-helix146-1538
α-helix159-17012
Chain E: 1 helix, 4 β-strands
ElementResiduesLengthSheet
β-strand10120
α-helix14-163
β-strand23121
β-strand28120
β-strand29121

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Hemagglutinin HA1 chainAprotein328Influenza A virus (A/Puerto Rico/8/1934(H1N1))P03452 (AlphaFold model)
Hemagglutinin HA2 chainBprotein176Influenza A virus (A/Puerto Rico/8/1934(H1N1))P03452 (AlphaFold model)
D-peptideEprotein31Phage display vector pdvec0
Sequence of entity 1 (A), FASTA
>9DXX_1 Hemagglutinin HA1 chain (chains A)
PGDTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLKGIAPLQLGKCNIA
GWLLGNPECDPLLPVRSWSYIVETPNSENGICYPGDFIDYEELREQLSSVSSFERFEIFP
KESSWPNHNTNGVTAACSHEGKSSFYRNLLWLTEKEGSYPKLKNSYVNKKGKEVLVLWGI
HHPPNSKEQQNLYQNENAYVSVVTSNYNRRFTPEIAERPKVRDQAGRMNYYWTLLKPGDT
IIFEANGNLIAPMYAFALSRGFGSGIITSNASMHECNTKCQTPLGAINSSLPYQNIHPVT
IGECPKYVRSAKLRMVTGLRNIPSIQSR
Sequence of entity 2 (B), FASTA
>9DXX_2 Hemagglutinin HA2 chain (chains B)
GLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNTVIEKMN
IQFTAVGKEFNKLEKRMENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVKNLYE
KVKSQLKNNAKEIGNGCFEFYHKCDNECMESVRNGTYDYPKYSEESKLNREKVDGV
Sequence of entity 3 (E), FASTA
>9DXX_3 D-peptide (chains E)
PXRFCPSILKKCRRDSDCPGXCICKGNGYCG

Ligands and cofactors

IDNameFormulaCopies
TOE2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxylC7 H16 O41
NAG2-acetamido-2-deoxy-beta-D-glucopyranoseC8 H15 N O61

Water and common crystallization additives (K) are not listed.

Primary citation

De novo design of D-peptide ligands: Application to influenza virus hemagglutinin. Juraszek, J., Kadam, R.U., Branduardi, D. et al. Proc Natl Acad Sci U S A (2025) 122:e2426554122-e2426554122. DOI 10.1073/pnas.2426554122 · PubMed

Other PDB entries of the same protein (UniProt P03452 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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