PDBsum entry 3vbd

Lyase/lyase inhibitor

PDB id: 3vbd

Contents

Protein chain

258 a.a.

Ligands

0FZ

MBO ×2

GOL ×2

Metals

_ZN

Waters ×430

PDB id:

3vbd

Name:

Lyase/lyase inhibitor

Title:

Complex of human carbonic anhydrase ii with 4-(6-methoxy-3,4- dihydroisoquinolin-1-yl)benzenesulfonamide

Structure:

Carbonic anhydrase 2. Chain: a. Synonym: carbonate dehydratase ii, carbonic anhydrasE C, cac, carbonic anhydrase ii, ca-ii. Ec: 4.2.1.1

Source:

Homo sapiens. Human. Organism_taxid: 9606

Resolution:

1.05Å R-factor: 0.134 R-free: 0.160

Authors:

P.Mader,J.Brynda,P.Rezacova

Key ref:

R.Gitto et al. (2012). Synthesis, structure-activity relationship studies, and X-ray crystallographic analysis of arylsulfonamides as potent carbonic anhydrase inhibitors. J Med Chem, 55, 3891-3899. PubMed id: 22443141

Date:

02-Jan-12 Release date: 04-Apr-12

Protein chain

P00918  (CAH2_HUMAN) -  Carbonic anhydrase 2 from Homo sapiens

Seq: 260 a.a.

Struc: 258 a.a.

Enzyme reactions

• Enzyme class 2: E.C.4.2.1.1 - carbonic anhydrase.
• Reaction: hydrogencarbonate + H⁺ = CO2 + H2O
• Cofactor: Zn(2+)
• Enzyme class 3: E.C.4.2.1.69 - cyanamide hydratase.
• Reaction: urea = cyanamide + H2O

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

J Med Chem 55:3891-3899 (2012)

PubMed id: 22443141

Synthesis, structure-activity relationship studies, and X-ray crystallographic analysis of arylsulfonamides as potent carbonic anhydrase inhibitors.

R.Gitto, F.M.Damiano, P.Mader, L.De Luca, S.Ferro, C.T.Supuran, D.Vullo, J.Brynda, P.Rezáčová, A.Chimirri.

ABSTRACT

No abstract given.