8CMB: PDB entry 8CMB

Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505. Determined by X-ray diffraction at 1.84 Å resolution. Released 26 Jul 2023.

Method
X-ray diffraction
Resolution
1.84 Å
Organisms
Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Chains
3
Atoms
3,451
Mol. weight
46.77 kDa
Ligands
DHL
Released
26 Jul 2023

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

Secondary structure: helices and β-sheets

8CMB contains 13 α-helices and 32 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, 16 β-strands

ElementResiduesLengthSheet
β-strand4-15121
β-strand19-2681
β-strand29-3571
β-strand40-4341
α-helix48-514
β-strand5312
α-helix56-7621
α-helix80-845
β-strand8513
α-helix86-872
β-strand88-9364
β-strand103-112104
β-strand11313
β-strand118-12365
β-strand126-12835
β-strand133-13424
β-strand138-13924
β-strand145-15394
β-strand161-16665
β-strand174-17855
Chain B: 7 helices, 15 β-strands
ElementResiduesLengthSheet
β-strand7-18121
β-strand23-32101
β-strand35-4171
β-strand47-4931
α-helix52-543
α-helix55-639
α-helix65-7410
α-helix75-806
α-helix81-866
α-helix87-893
β-strand9516
α-helix96-972
β-strand98-10367
β-strand113-122107
β-strand12316
β-strand128-13368
β-strand136-13728
β-strand142-14437
β-strand148-14927
β-strand155-16397
β-strand170-17678
β-strand184-18968
Chain C: 2 helices, 1 β-strand
ElementResiduesLengthSheet
β-strand312
α-helix6-94
α-helix11-133

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
HLA class II histocompatibility antigen, DR alpha chainAprotein183Homo sapiensP01903 (AlphaFold model)
Human leukocyte antigen DR beta chain allotype DR1 (DRB1*0101)Bprotein194Homo sapiensD7RIG0 (AlphaFold model)
Spike protein S2'Cprotein20Severe acute respiratory syndrome coronavirus 2P0DTC2 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>8CMB_1 HLA class II histocompatibility antigen, DR alpha chain (chains A)
MIKEEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGA
LANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNV
TWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWE
FDA
Sequence of entity 2 (B), FASTA
>8CMB_2 Human leukocyte antigen DR beta chain allotype DR1 (DRB1*0101) (chains B)
MGSMGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRP
DAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLV
CSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVE
HPSVTSPLTVEWRA
Sequence of entity 3 (C), FASTA
>8CMB_3 Spike protein S2' (chains C)
FNCYFPLQSYGFQPTNGVGY

Ligands and cofactors

IDNameFormulaCopies
DHL2-amino-ethanethiolC2 H7 N S1

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

Primary citation

Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Chen, Y., Mason, G.H., Scourfield, D.O. et al. Cell Rep (2023) 42:112827-112827. DOI 10.1016/j.celrep.2023.112827 · PubMed

Other PDB entries of the same protein (UniProt P01903 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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