3RJ7

Human carbonic anhydrase II complexed with its inhibitor rhenium(I)triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide

Summary for 3RJ7

Entry DOI	10.2210/pdb3rj7/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, MERCURIBENZOIC ACID, ... (6 entities in total)
Functional Keywords	inhibitor, transition metal complex, anhydrase, carbon dioxide, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm : P00918
Total number of polymer chains	1
Total formula weight	30631.14
Authors	Spingler, B.,Can, D.,Alberto, R. (deposition date: 2011-04-15, release date: 2012-02-29, Last modification date: 2023-09-13)
Primary citation	Can, D.,Spingler, B.,Schmutz, P.,Mendes, F.,Raposinho, P.,Fernandes, C.,Carta, F.,Innocenti, A.,Santos, I.,Supuran, C.T.,Alberto, R. [(Cp-R)M(CO)(3) ] (M=Re or (99m) Tc) Arylsulfonamide, Arylsulfamide, and Arylsulfamate Conjugates for Selective Targeting of Human Carbonic Anhydrase IX. Angew.Chem.Int.Ed.Engl., 51:3354-3357, 2012 Cited by PubMed Abstract: Enhanced receptor selectivity: carbonic anhydrase inhibitors are relevant for both cancer diagnosis and therapy. Combining non-radioactive Re compounds with their radioactive (99m)Tc homologs enables the use of identical molecules for therapy and imaging (theragnostic). The syntheses and in vitro evaluation of [(Cp-R)M(CO)(3)] (Cp=cyclopentadienyl, M=Re, (99m)Tc) with R being a highly potent carbonic-anhydrase-targeting vector is reported. PubMed: 22344779 DOI: 10.1002/anie.201107333 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.2 Å)

Structure validation