PDBsum entry 3v7x

Lyase/lyase inhibitor

PDB id: 3v7x

Contents

Protein chain

258 a.a.

Ligands

D7A

GOL ×5

MBO ×4

Metals

_ZN

Waters ×361

PDB id:

3v7x

Name:

Lyase/lyase inhibitor

Title:

Complex of human carbonic anhydrase ii with n-[2-(3,4- dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide

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:

1.03Å R-factor: 0.117 R-free: 0.148

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:

22-Dec-11 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: E.C.4.2.1.1 - carbonic anhydrase.
• Reaction: hydrogencarbonate + H⁺ = CO2 + H2O
• Cofactor: Zn(2+)

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

Added 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.