› 4lp6

X-ray diffraction
2.15Å resolution

Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer

Released:
DOI: 10.2210/pdb4lp6/pdb
PDB 4lp6 coloured by chain and viewed from the front.
PDB 4lp6 coloured by chain and viewed from the side.
PDB 4lp6 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Structure of a Complex Formed by a Protein and a Helical Aromatic Oligoamide Foldamer at 2.1 �� Resolution.
Buratto J, Colombo C, Stupfel M, Dawson SJ, Dolain C, Langlois d'Estaintot B, Fischer L, Granier T, Laguerre M, Gallois B, Huc I
Angew. Chem. Int. Ed. Engl. (2013)
PMID: 24288253

Function and Biology Details

Reaction catalysed: 
H(2)CO(3) = CO(2) + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 260 amino acids
Theoretical weight: 29.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00918 (Residues: 1-260; Coverage: 100%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand Q4I 2 x Q4I
Ligand ZN 13 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21
Unit cell:
a: 45.96Å b: 84.17Å c: 76.7Å
α: 90° β: 97.18° γ: 90°
R-values:
R R work R free
0.194 0.191 0.253
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor design.
Linkuvienė et al. (2018)
2 more

1 mention without citation

Supramolecular Chemistry Targeting Proteins.
van Dun et al. (2017)