› 7m24

X-ray diffraction
1.3Å resolution

Human carbonic anhydrase II in complex with (R)-rosiglitazone

Released:
DOI: 10.2210/pdb7m24/pdb
PDB entry 7m24 coloured by chain, front view.
PDB entry 7m24 coloured by chain, side view.
PDB entry 7m24 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Mueller SL, Chrysanthopoulos PK, Halili MA, Hepburn C, Nebl T, Supuran CT, Nocentini A, Peat TS, Poulsen SA
OpenAccess logo Molecules 26 (2021)
PMID: 34070212

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: 258 amino acids
Theoretical weight: 29.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00918 (Residues: 3-260; Coverage: 99%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 42.574Å b: 41.282Å c: 71.932Å
α: 90° β: 104.416° γ: 90°
R-values:
R R work R free
0.117 0.116 0.146
Expression system: Escherichia coli

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Citations

3 citation in other articles

Elucidating Protein-Ligand Interactions in Cell Lysates Using High-Throughput Hydrogen-Deuterium Exchange Mass Spectrometry with Integrated Protein Thermal Depletion.
Fang et al. (2023)
2 more