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The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase

X-ray diffraction
1.4Å resolution
PDB entry 3s74 coloured by chain, front view.
PDB entry 3s74 coloured by chain, side view.
PDB entry 3s74 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 2
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Multimeric state: monomeric
Accessible surface area: 11625.88 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133681
Monomeric assembly 1 of PDB entry 3s74 coloured by chemically distinct molecules, front view.
Monomeric assembly 1 of PDB entry 3s74 coloured by chemically distinct molecules, side view.
Monomeric assembly 1 of PDB entry 3s74 coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 95%
No. subunits : 1
Symmetry : None
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3DComplex & QSbio predictionx
No. subunits : 1
Symmetry : None
Evidence : This biological assembly agrees with the prediction of both PISA & EPPIC

Macromolecules

Carbonic anhydrase 2
Chain: B
Length: 258 amino acids
Theoretical weight: 29.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00918 (Residues: 3-260; Coverage: 99%)
Gene name: CA2
Pfam: Eukaryotic-type carbonic anhydrase
InterPro:
CATH: Alpha carbonic anhydrase
Carbonic anhydrase 2 in PDB entry 3s74, assembly 1, front view.
Carbonic anhydrase 2 in PDB entry 3s74, assembly 1, side view.
Carbonic anhydrase 2 in PDB entry 3s74, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P00918  
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