› 8fqy

X-ray diffraction
1.47Å resolution

Carbonic Anhydrase II in complex with the alkyl urea 3h

Released:
DOI: 10.2210/pdb8fqy/pdb
PDB entry 8fqy coloured by chain, front view.
PDB entry 8fqy coloured by chain, side view.
PDB entry 8fqy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Combs J, Bozdag M, Cravey LD, Kota A, McKenna R, Angeli A, Carta F, Supuran CT
OpenAccess logo Molecules 28 (2023)
PMID: 36677947

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: A
Molecule details ›
Chain: A
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 N8A 1 x N8A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: P21
Unit cell:
a: 42.029Å b: 40.959Å c: 71.408Å
α: 90° β: 104.18° γ: 90°
R-values:
R R work R free
0.17 0.169 0.185
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

Benzenesulfonamide derivatives as Vibrio cholerae carbonic anhydrases inhibitors: a computational-aided insight in the structural rigidity-activity relationships.
Fantacuzzi et al. (2023)
2 more

1 mention without citation

New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Combs et al. (2023)