› 3ml5

X-ray diffraction
2.05Å resolution

Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide

Released:
DOI: 10.2210/pdb3ml5/pdb
PDB entry 3ml5 coloured by chain, front view.
PDB entry 3ml5 coloured by chain, side view.
PDB entry 3ml5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide.
Di Fiore A, Truppo E, Supuran CT, Alterio V, Dathan N, Bootorabi F, Parkkila S, Monti SM, De Simone G
Bioorg Med Chem Lett 20 5023-6 (2010)
PMID: 20688517

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

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154962 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 7 Chain: A
Molecule details ›
Chain: A
Length: 269 amino acids
Theoretical weight: 30.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P43166 (Residues: 1-264; Coverage: 100%)
Gene name: CA7
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P21
Unit cell:
a: 43.78Å b: 66.28Å c: 46.46Å
α: 90° β: 113.84° γ: 90°
R-values:
R R work R free
0.166 0.166 0.207
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Structure-based drug discovery of carbonic anhydrase inhibitors.
Supuran CT. (2012)
11 more

8 mentions without citation

Carbonic Anhydrase Inhibitors and Epilepsy: State of the Art and Future Perspectives.
Ciccone et al. (2021)
7 more