8VDD: Proinsulin C-peptide

Crystal structure of Proinsulin C-peptide bound to HLA-DQ8. Determined by X-ray diffraction at 2.6 Å resolution. Released 7 Aug 2024.

Method
X-ray diffraction
Resolution
2.6 Å
Organism
Homo sapiens
Chains
3
Atoms
3,049
Mol. weight
45.43 kDa
Ligands
NAG
Released
7 Aug 2024

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

Secondary structure: helices and β-sheets

8VDD contains 15 α-helices and 30 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: 4 helices, 14 β-strands

ElementResiduesLengthSheet
β-strand5-15111
β-strand20-2781
β-strand30-3671
β-strand41-4441
α-helix47-526
β-strand5412
α-helix57-7721
α-helix82-865
β-strand89-9463
β-strand104-113103
β-strand119-12354
β-strand128-12924
β-strand133-13533
α-helix136-1383
β-strand139-14023
β-strand146-15493
β-strand162-16764
β-strand175-17954
Chain B: 8 helices, 15 β-strands
ElementResiduesLengthSheet
β-strand8-18111
β-strand23-32101
β-strand35-4171
β-strand47-4931
α-helix55-639
α-helix65-728
α-helix741
α-helix75-806
α-helix81-877
α-helix90-923
β-strand9515
α-helix96-972
β-strand98-10256
β-strand115-12286
β-strand12315
β-strand128-13367
β-strand136-13837
β-strand142-14436
α-helix145-1473
β-strand148-14926
β-strand155-16176
β-strand171-17667
β-strand184-18857
Chain C: 3 helices, 1 β-strand
ElementResiduesLengthSheet
α-helix-11
β-strand012
α-helix11
α-helix4-96

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
MHC class II HLA-DQ-alpha chainAprotein185Homo sapiensQ30069 (AlphaFold model)
MHC class II HLA-DQ-beta-1Bprotein192Homo sapiensO19707 (AlphaFold model)
Proinsulin C-peptide (InsC8-22)Cprotein15Homo sapiensP01308 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>8VDD_1 MHC class II HLA-DQ-alpha chain (chains A)
EDIVADHVASYGVNLYQSYGPSGQYSHEFDGDEEFYVDLERKETVWQLPLFRRFRRFDPQ
FALTNIAVLKHNLNCVIKRSNSTAATNEVPEVTVFSKSPVTLGQPNTLICLVDNIFPPVV
NITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTFLPSADEIYDCKVEHWGLDEPLLKH
WEPES
Sequence of entity 2 (B), FASTA
>8VDD_2 MHC class II HLA-DQ-beta-1 (chains B)
RDSPEDFVYQFKGMCYFTNGTERVRLVTRYIYNREEYARFDSDVGVYRAVTPLGPPAAEY
WNSQKEVLERTRAELDTVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVT
DFYPAQIKVRWFRNDQEETTGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCHVEHPSL
QNPIIVEWRAQS
Sequence of entity 3 (C), FASTA
>8VDD_3 Proinsulin C-peptide (InsC8-22) (chains C)
GQVELGGGPGAESCQ

Ligands and cofactors

IDNameFormulaCopies
NAG2-acetamido-2-deoxy-beta-D-glucopyranoseC8 H15 N O61

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

Primary citation

A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8. Tran, M.T., Lim, J.J., Loh, T.J. et al. J Biol Chem (2024) 300:107612-107612. DOI 10.1016/j.jbc.2024.107612 · PubMed

Other PDB entries of the same protein (UniProt Q30069 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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