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Structure of inhibitor binding to Carbonic Anhydrase I

X-ray diffraction
1.85Å resolution
PDB entry 2nn7 coloured by chain, front view.
PDB entry 2nn7 coloured by chain, side view.
PDB entry 2nn7 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Carbonic anhydrase 1
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Multimeric state: monomeric
Accessible surface area: 11061.93 Å2
Buried surface area: 918.87 Å2
Dissociation area: 107.7 Å2
Dissociation energy (ΔGdiss): -1.02 kcal/mol
Dissociation entropy (TΔSdiss): 0.11 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133680
Assembly 2
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Assembly Name: Carbonic anhydrase 1
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Multimeric state: monomeric
Accessible surface area: 11142.81 Å2
Buried surface area: 700.92 Å2
Dissociation area: 314.29 Å2
Dissociation energy (ΔGdiss): 7.74 kcal/mol
Dissociation entropy (TΔSdiss): 3.77 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133680

Macromolecules

Carbonic anhydrase 1
Chains: A, B
Length: 260 amino acids
Theoretical weight: 28.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00915 (Residues: 2-261; Coverage: 100%)
Gene name: CA1
Pfam: Eukaryotic-type carbonic anhydrase
InterPro:
CATH: Alpha carbonic anhydrase
SCOP: Carbonic anhydrase
Carbonic anhydrase 1 in PDB entry 2nn7, assembly 1, front view.
Carbonic anhydrase 1 in PDB entry 2nn7, assembly 1, side view.
Carbonic anhydrase 1 in PDB entry 2nn7, assembly 1, top view.
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