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PDBsum entry 3bl0

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Lyase PDB id
3bl0
Jmol
Contents
Protein chain
257 a.a.
Ligands
BL0
MBO
Metals
_ZN
Waters ×189

References listed in PDB file
Key reference
Title Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-Thiadiazole-5-Methanesulfonamide with 12 mammalian isoforms: kinetic and X-Ray crystallographic studies.
Authors C.Temperini, A.Cecchi, N.A.Boyle, A.Scozzafava, J.E.Cabeza, P.Wentworth, G.M.Blackburn, C.T.Supuran.
Ref. Bioorg Med Chem Lett, 2008, 18, 999. [DOI no: 10.1016/j.bmcl.2007.12.022]
PubMed id 18162396
Abstract
2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide was tested for its interaction with the 12 catalytically active mammalian carbonic anhydrase (CA, EC 4.2.1.1) isozymes, CA I-XIV. The compound is a potent inhibitor of CA IV, VII, IX, XII, and XIII (K(I)s of 0.61-39 nM), a medium potency inhibitor of CA II and VA (K(I)s of 121-438 nM), and a weak inhibitor against the other isoforms (CA III, VB, VI, and XIV), making it a very interesting candidate for situations in which a strong/selective inhibition of certain isozymes is needed. The crystal structure of the hCA II adduct of this sulfonamide revealed interesting interactions between the inhibitor and the enzyme which are quite different from those observed in the adducts of CA II with the structurally related aliphatic derivatives zonisamide, 2-amino-1,3,4-thiadiazolyl-5-difluoromethanesulfonamide, and 2-dimethylamino-5-[sulfonamido-(aminomethyl)]-1,3,4-thiadiazole reported earlier.
PROCHECK
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