› 7nh8

X-ray diffraction
1.37Å resolution

Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide

Released:
DOI: 10.2210/pdb7nh8/pdb
Model geometry
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PDB entry 7nh8 coloured by chain, front view.
PDB entry 7nh8 coloured by chain, side view.
PDB entry 7nh8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis of Azasugar-Sulfonamide conjugates and their Evaluation as Inhibitors of Carbonic Anhydrases: the Azasugar Approach to Selectivity
Pratesi D, Sodini A, Matassini C, Cardona F, Angeli A, Carta F, Ferraroni M, Supuran CT, Goti A
Eur. J. Org. Chem. (2021)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133681 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 2 Chain: AAA
Molecule details ›
Chain: AAA
Length: 260 amino acids
Theoretical weight: 29.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00918 (Residues: 1-260; Coverage: 100%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand UD8 1 x UD8
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ELETTRA BEAMLINE 11.2C
Spacegroup: P21
Unit cell:
a: 42.61Å b: 41.7Å c: 72.63Å
α: 90° β: 104.435° γ: 90°
R-values:
R R work R free
0.163 0.162 0.19
Expression system: Escherichia coli

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