2aw1 Summary


Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor Celecoxib

The structure was published by Di Fiore, A., Pedone, C., D'Ambrosio, K., Scozzafava, A., De Simone, G., and Supuran, C.T., in 2006 in a paper entitled "Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.46 Å and deposited in 2005.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Carbonic anhydrase II. This molecule has the UniProt identifier P00918 (CAH2_HUMAN)search. The sample contained 259 residues which is 100% of the natural sequence. Out of 259 residues 257 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Carbonic anhydrase II P00918 (2-260) (CAH2_HUMAN)search Homo sapienssearch 98% 259 99%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P00918 (2 - 260) Carbonic anhydrase II Homo sapiens

Chain Structural classification (SCOP) Structural classification (CATH) Sequence family (Pfam)
A (P00918) Carbonic anhydrasesearch Carbonic Anhydrase IIsearch PF00194: Eukaryotic-type carbonic anhydrasesearch

Chain ID Cellular component (GO) Biological process (GO) Molecular function (GO)
A (P00918) cytoplasmsearch apical part of cellsearch cytosolsearch plasma membranesearch membranesearch extracellular spacesearch basolateral plasma membranesearch extracellular vesicular exosomesearch microvillussearch myelin sheathsearch axonsearch response to pHsearch regulation of intracellular pHsearch positive regulation of osteoclast differentiationsearch kidney developmentsearch bicarbonate transportsearch positive regulation of dipeptide transmembrane transportsearch small molecule metabolic processsearch response to organic substancesearch regulation of chloride transportsearch one-carbon metabolic processsearch positive regulation of bone resorptionsearch positive regulation of cellular pH reductionsearch response to zinc ionsearch response to steroid hormonesearch morphogenesis of an epitheliumsearch odontogenesis of dentin-containing toothsearch response to estrogensearch secretionsearch angiotensin-activated signaling pathwaysearch positive regulation of synaptic transmission, GABAergicsearch regulation of anion transportsearch protein bindingsearch carbonate dehydratase activitysearch zinc ion bindingsearch lyase activitysearch metal ion bindingsearch

Chain InterPro annotation
A Alpha carbonic anhydrasesearch Carbonic anhydrase, alpha-class, conserved sitesearch Carbonic anhydrase 2search Carbonic anhydrase, alpha-classsearch