PDBsum entry 3m2n

Lyase/lyase inhibitor

PDB id: 3m2n

Contents

Protein chain

258 a.a. *

Ligands

J74

DMS ×2

BCN

Metals

_ZN

Waters ×370

* Residue conservation analysis

PDB id:

3m2n

Name:

Lyase/lyase inhibitor

Title:

Crystal structure of human carbonic anhydrase isozyme ii with 4-{2-[n- (6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide

Structure:

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

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

1.65Å R-factor: 0.160 R-free: 0.203

Authors:

S.Grazulis,E.Manakova,D.Golovenko

Key ref:

E.Čapkauskaitė et al. (2012). Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur J Med Chem, 51, 259-270. PubMed id: 22440859

Date:

08-Mar-10 Release date: 16-Feb-11

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

Eur J Med Chem 51:259-270 (2012)

PubMed id: 22440859

Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.

E.Čapkauskaitė, A.Zubrienė, L.Baranauskienė, G.Tamulaitienė, E.Manakova, V.Kairys, S.Gražulis, S.Tumkevičius, D.Matulis.

ABSTRACT

No abstract given.