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Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR

X-ray diffraction
2Å resolution
PDB entry 5d7i coloured by chain, front view.
PDB entry 5d7i coloured by chain, side view.
PDB entry 5d7i coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero tetramer (preferred)
Entry contents: 4 distinct polypeptide molecules

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Assemblies

Assembly 1
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Multimeric state: hetero tetramer
Accessible surface area: 35986.36 Å2
Buried surface area: 10400.71 Å2
Dissociation area: 1,171.96 Å2
Dissociation energy (ΔGdiss): 3.04 kcal/mol
Dissociation entropy (TΔSdiss): 12.22 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-229982
Assembly 2 (preferred)
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Multimeric state: hetero tetramer
Accessible surface area: 37019.58 Å2
Buried surface area: 9364.6 Å2
Dissociation area: 2,376.72 Å2
Dissociation energy (ΔGdiss): 0.8 kcal/mol
Dissociation entropy (TΔSdiss): 25.79 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-229982

Macromolecules

Major histocompatibility complex class I-related gene protein
Chains: A, C
Length: 271 amino acids
Theoretical weight: 31.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q95460 (Residues: 23-292; Coverage: 85%)
Gene name: MR1
Pfam:
InterPro:
CATH:
Major histocompatibility complex class I-related gene protein in PDB entry 5d7i, assembly 2, front view.
Major histocompatibility complex class I-related gene protein in PDB entry 5d7i, assembly 2, side view.
Major histocompatibility complex class I-related gene protein in PDB entry 5d7i, assembly 2, top view.
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Beta-2-microglobulin
Chains: B, D
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Pfam: Immunoglobulin C1-set domain
InterPro:
CATH: Immunoglobulins
Beta-2-microglobulin in PDB entry 5d7i, assembly 2, front view.
Beta-2-microglobulin in PDB entry 5d7i, assembly 2, side view.
Beta-2-microglobulin in PDB entry 5d7i, assembly 2, top view.
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M33.64 TCR Alpha Chain
Chains: E, G
Length: 204 amino acids
Theoretical weight: 22.78 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
InterPro:
CATH: Immunoglobulins
M33.64 TCR Alpha Chain in PDB entry 5d7i, assembly 2, front view.
M33.64 TCR Alpha Chain in PDB entry 5d7i, assembly 2, side view.
M33.64 TCR Alpha Chain in PDB entry 5d7i, assembly 2, top view.
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M33.64 TCR Beta Chain
Chains: F, H
Length: 245 amino acids
Theoretical weight: 27.18 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
InterPro:
CATH: Immunoglobulins
M33.64 TCR Beta Chain in PDB entry 5d7i, assembly 2, front view.
M33.64 TCR Beta Chain in PDB entry 5d7i, assembly 2, side view.
M33.64 TCR Beta Chain in PDB entry 5d7i, assembly 2, top view.
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