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Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction.

X-ray diffraction
1.52Å resolution
PDB entry 4h6j coloured by chain, front view.
PDB entry 4h6j coloured by chain, side view.
PDB entry 4h6j 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: Hypoxia-inducible transcription factor complex, HIF1
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Multimeric state: hetero dimer
Accessible surface area: 11035.17 Å2
Buried surface area: 1772.86 Å2
Dissociation area: 886.43 Å2
Dissociation energy (ΔGdiss): 1.97 kcal/mol
Dissociation entropy (TΔSdiss): 11.07 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-151025

Macromolecules

Hypoxia-inducible factor 1-alpha
Chain: A
Length: 113 amino acids
Theoretical weight: 13.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q16665 (Residues: 238-348; Coverage: 13%)
Gene names: BHLHE78, HIF1A, MOP1, PASD8
Pfam: PAS fold
InterPro:
CATH: PAS domain
Hypoxia-inducible factor 1-alpha in PDB entry 4h6j, assembly 1, front view.
Hypoxia-inducible factor 1-alpha in PDB entry 4h6j, assembly 1, side view.
Hypoxia-inducible factor 1-alpha in PDB entry 4h6j, assembly 1, top view.
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Aryl hydrocarbon receptor nuclear translocator
Chain: B
Length: 116 amino acids
Theoretical weight: 13.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P27540 (Residues: 357-470; Coverage: 14%)
Gene names: ARNT, BHLHE2
Pfam: PAS domain
InterPro:
CATH: PAS domain
Aryl hydrocarbon receptor nuclear translocator in PDB entry 4h6j, assembly 1, front view.
Aryl hydrocarbon receptor nuclear translocator in PDB entry 4h6j, assembly 1, side view.
Aryl hydrocarbon receptor nuclear translocator in PDB entry 4h6j, assembly 1, top view.
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