X-ray diffraction
2.1Å resolution

Human class II MHC protein HLA-DR1 bound to a designed peptide related to influenza virus hemagglutinin, FVKQNA(MAA)AL, in complex with staphylococcal enterotoxin C3 variant 3B2 (SEC3-3B2)

Entry authors: Zavala-Ruiz Z, Sundberg EJ, Stone JD, DeOliveira DB, Chan IC, Svendsen J, Mariuzza RA, Stern LJ

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
HLA class II histocompatibility antigen, DR alpha chain Chain: A
Molecule details ›
Chain: A
Length: 182 amino acids
Theoretical weight: 21.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
  • Canonical: P01903 (Residues: 26-207; Coverage: 80%)
Gene names: HLA-DRA, HLA-DRA1
Sequence domains:
Structure domains:
HLA class II histocompatibility antigen, DRB1 beta chain Chain: B
Molecule details ›
Chain: B
Length: 190 amino acids
Theoretical weight: 22.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
  • Canonical: P01911 (Residues: 30-219; Coverage: 80%)
Gene name: HLA-DRB1
Sequence domains:
Structure domains:
Hemagglutinin HA1 chain Chain: C
Molecule details ›
Chain: C
Length: 10 amino acids
Theoretical weight: 1 KDa
Source organism: Influenza A virus (A/Aichi/2/1968(H3N2))
Expression system: Not provided
  • Canonical: P03437 (Residues: 324-332; Coverage: 2%)
Gene name: HA
Enterotoxin type C-3 Chain: D
Molecule details ›
Chain: D
Length: 239 amino acids
Theoretical weight: 27.72 KDa
Source organism: Staphylococcus aureus subsp. aureus Mu50
Expression system: Escherichia coli
  • Canonical: P0A0L3 (Residues: 28-266; Coverage: 100%)
Gene names: SAV2009, entC3
Sequence domains:
Structure domains:

Ligands and Environments

No bound ligands
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: R3
Unit cell:
a: 172.507Å b: 172.507Å c: 121.652Å
α: 90° β: 90° γ: 120°
R R work R free
0.212 0.209 0.235
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided
  • Escherichia coli