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Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122

X-ray diffraction
2.8Å resolution
PDB entry 4iah coloured by chain, front view.
PDB entry 4iah coloured by chain, side view.
PDB entry 4iah coloured by chain, top view.
Source organism: Nostoc sp. PCC 7120 = FACHB-418
Assemblies composition:
monomeric (preferred)
homo trimer
homo hexamer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Heme NO-binding domain-containing protein
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Multimeric state: monomeric
Accessible surface area: 9098.0 Å2
Buried surface area: 255.3 Å2
Dissociation area: 127.65 Å2
Dissociation energy (ΔGdiss): -2.49 kcal/mol
Dissociation entropy (TΔSdiss): 1.21 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-187121
Assembly 2
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Assembly Name: Heme NO-binding domain-containing protein
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Multimeric state: monomeric
Accessible surface area: 9002.79 Å2
Buried surface area: 274.51 Å2
Dissociation area: 137.25 Å2
Dissociation energy (ΔGdiss): -2.51 kcal/mol
Dissociation entropy (TΔSdiss): 1.2 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-187121
Assembly 3
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Assembly Name: Heme NO-binding domain-containing protein
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Multimeric state: homo trimer
Accessible surface area: 23628.32 Å2
Buried surface area: 4409.57 Å2
Dissociation area: 1,820.6 Å2
Dissociation energy (ΔGdiss): 2.38 kcal/mol
Dissociation entropy (TΔSdiss): 25.43 kcal/mol
Symmetry number: 3
PDBe Complex ID: PDB-CPX-187123
Assembly 4
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Assembly Name: Heme NO-binding domain-containing protein
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Multimeric state: homo trimer
Accessible surface area: 23259.03 Å2
Buried surface area: 4565.96 Å2
Dissociation area: 1,872.8 Å2
Dissociation energy (ΔGdiss): 5.89 kcal/mol
Dissociation entropy (TΔSdiss): 25.42 kcal/mol
Symmetry number: 3
PDBe Complex ID: PDB-CPX-187123
Assembly 5
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Assembly Name: Heme NO-binding domain-containing protein
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Multimeric state: homo hexamer
Accessible surface area: 43971.27 Å2
Buried surface area: 11904.42 Å2
Dissociation area: 5,451.74 Å2
Dissociation energy (ΔGdiss): -0.21 kcal/mol
Dissociation entropy (TΔSdiss): 65.6 kcal/mol
Symmetry number: 6
PDBe Complex ID: PDB-CPX-187124

Macromolecules

Heme NO-binding domain-containing protein
Chains: A, B
Length: 182 amino acids
Theoretical weight: 20.39 KDa
Source organism: Nostoc sp. PCC 7120 = FACHB-418
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8YUQ7 (Residues: 1-182; Coverage: 96%)
Gene name: alr2278
Pfam: Haem-NO-binding
InterPro:
CATH: H-NOX domain
Heme NO-binding domain-containing protein in PDB entry 4iah, assembly 1, front view.
Heme NO-binding domain-containing protein in PDB entry 4iah, assembly 1, side view.
Heme NO-binding domain-containing protein in PDB entry 4iah, assembly 1, top view.
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