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Structure and binding kinetics of three different human CD1d-alpha- Galactosylceramide specific T cell receptors - iNKT-TCR

X-ray diffraction
3.5Å resolution
PDB entry 2cde coloured by chain, front view.
PDB entry 2cde coloured by chain, side view.
PDB entry 2cde coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: TR-beta light chain and TR-alpha light chain
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Multimeric state: hetero dimer
Accessible surface area: 21960.46 Å2
Buried surface area: 3969.5 Å2
Dissociation area: 1,984.75 Å2
Dissociation energy (ΔGdiss): 16.85 kcal/mol
Dissociation entropy (TΔSdiss): 13.21 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208607
Assembly 2
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Assembly Name: TR-beta light chain and TR-alpha light chain
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Multimeric state: hetero dimer
Accessible surface area: 22098.09 Å2
Buried surface area: 4086.77 Å2
Dissociation area: 2,043.38 Å2
Dissociation energy (ΔGdiss): 14.67 kcal/mol
Dissociation entropy (TΔSdiss): 13.22 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208607
Assembly 3
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Assembly Name: TR-beta light chain and TR-alpha light chain
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Multimeric state: hetero dimer
Accessible surface area: 21749.08 Å2
Buried surface area: 4135.62 Å2
Dissociation area: 2,067.81 Å2
Dissociation energy (ΔGdiss): 16.57 kcal/mol
Dissociation entropy (TΔSdiss): 13.22 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208607

Macromolecules

INKT-TCR
Chains: A, C, E
Length: 192 amino acids
Theoretical weight: 21.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
InterPro:
CATH: Immunoglobulins
SCOP:
INKT-TCR in PDB entry 2cde, assembly 1, front view.
INKT-TCR in PDB entry 2cde, assembly 1, side view.
INKT-TCR in PDB entry 2cde, assembly 1, top view.
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T cell receptor beta constant 1
Chains: B, D, F
Length: 244 amino acids
Theoretical weight: 27.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01850 (Residues: 1-129; Coverage: 73%)
Gene name: TRBC1
Pfam: Immunoglobulin C1-set domain
InterPro:
CATH: Immunoglobulins
SCOP:
T cell receptor beta constant 1 in PDB entry 2cde, assembly 1, front view.
T cell receptor beta constant 1 in PDB entry 2cde, assembly 1, side view.
T cell receptor beta constant 1 in PDB entry 2cde, assembly 1, top view.
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