PDBsum entry 3v5g

Lyase/lyase inhibitor

PDB id: 3v5g

Contents

Protein chain

257 a.a.

Ligands

MBO

0F3 ×3

HGB

Metals

_ZN

Waters ×445

PDB id:

3v5g

Name:

Lyase/lyase inhibitor

Title:

Crystal structure of human carbonic anhydrase ii in complex with the 4-sulfamido-benzenesulfonamide inhibitor

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:

1.50Å R-factor: 0.186 R-free: 0.212

Authors:

K.D'Ambrosio,G.De Simone

Key ref:

K.D'Ambrosio et al. (2012). Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups. J Med Chem, 55, 6776-6783. PubMed id: 22775345

Date:

16-Dec-11 Release date: 25-Jul-12

Protein chain

P00918  (CAH2_HUMAN) -  Carbonic anhydrase 2 from Homo sapiens

Seq: 260 a.a.

Struc: 257 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 55:6776-6783 (2012)

PubMed id: 22775345

Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups.

K.D'Ambrosio, F.Z.Smaine, F.Carta, G.De Simone, J.Y.Winum, C.T.Supuran.

ABSTRACT

No abstract given.