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HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB)

Solution NMR
PDB entry 1mdj coloured by chain, ensemble of 30 models, front view.
PDB entry 1mdj coloured by chain, ensemble of 30 models, side view.
PDB entry 1mdj coloured by chain, ensemble of 30 models, 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: Thioredoxin and Nuclear factor NF-kappa-B p50 subunit
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Multimeric state: hetero dimer
Accessible surface area: 6692.36 Å2
Buried surface area: 1350.66 Å2
Dissociation area: 675.33 Å2
Dissociation energy (ΔGdiss): 2.79 kcal/mol
Dissociation entropy (TΔSdiss): 8.21 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145349

Macromolecules

Thioredoxin
Chain: A
Length: 105 amino acids
Theoretical weight: 11.59 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P10599 (Residues: 1-105; Coverage: 100%)
Gene names: TRDX, TRX, TRX1, TXN
Pfam: Thioredoxin
InterPro:
CATH: Glutaredoxin
SCOP: Thioltransferase
Thioredoxin in PDB entry 1mdj, assembly 1, front view.
Thioredoxin in PDB entry 1mdj, assembly 1, side view.
Thioredoxin in PDB entry 1mdj, assembly 1, top view.
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Nuclear factor NF-kappa-B p50 subunit
Chain: B
Length: 13 amino acids
Theoretical weight: 1.56 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P19838 (Residues: 55-67; Coverage: 1%)
Gene name: NFKB1
InterPro: Rel homology domain, conserved site
Nuclear factor NF-kappa-B p50 subunit in PDB entry 1mdj, assembly 1, front view.
Nuclear factor NF-kappa-B p50 subunit in PDB entry 1mdj, assembly 1, side view.
Nuclear factor NF-kappa-B p50 subunit in PDB entry 1mdj, assembly 1, top view.
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