Brand  (β version)

PDB ID: 2AW1

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Ligands
Code Name Style Show Link
COX 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide PoSSuM
GOL Glycerol PoSSuM
HGB 4-(hydroxymercury)benzoic acid PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 2AW1   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : 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
Release Data : 2006-07-04
Compound :
mol_id molecule chains synonym
1 Carbonic anhydrase II A Carbonate dehydratase II, CA-II, Carbonic anhydrase C
ec: 4.2.1.1
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
cell: ERYTHROCYTES
cellular_location: CYTOPLASM
Authors : Di Fiore, A., Pedone, C., D'Ambrosio, K., Scozzafava, A., De Simone, G., Supuran, C.T.
Keywords : CARBONIC ANHYDRASE, PROTEIN-INHIBITOR COMPLEX, LYASE
Exp. method : X-RAY DIFFRACTION ( 1.46 Å )
Citation :

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

Di Fiore, A.,Pedone, C.,D'Ambrosio, K.  et al.
(2006)  Bioorg.Med.Chem.Lett.  16 : 437 - 442

PubMed: 16290146
DOI: 10.1016/j.bmcl.2005.09.040

Reaction

Chain : A
UniProt : P00918 (CAH2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
H(+) + hydrogencarbonate = CO2 + H2O 4.2.1.1 PubMed:11327835, PubMed:11802772, PubMed:11831900, PubMed:12056894, PubMed:12171926, PubMed:1336460, PubMed:14736236, PubMed:15300855, PubMed:15453828, PubMed:15667203, PubMed:15865431, PubMed:16106378, PubMed:16214338, PubMed:16290146, PubMed:16686544, PubMed:16759856, PubMed:16807956, PubMed:17127057, PubMed:17251017, PubMed:17314045, PubMed:17330962, PubMed:17346964, PubMed:17540563, PubMed:17588751, PubMed:17705204, PubMed:18024029, PubMed:18162396, PubMed:18266323, PubMed:18374572, PubMed:18481843, PubMed:18618712, PubMed:18640037, PubMed:18942852, PubMed:1909891, PubMed:1910042, PubMed:19170619, PubMed:19186056, PubMed:19206230, PubMed:19520834, PubMed:19778001, PubMed:7761440, PubMed:7901850, PubMed:8218160, PubMed:8262987, PubMed:8399159, PubMed:8451242, PubMed:8485129, PubMed:8639494, PubMed:9265618, PubMed:9398308
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urea = cyanamide + H2O 4.2.1.69 PubMed:10550681, PubMed:11015219
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