PDBsum entry 3m5e

Lyase/lyase inhibitor

PDB id: 3m5e

Contents

Protein chain

258 a.a. *

Ligands

DMS

JDR

Metals

_ZN

Waters ×330

* Residue conservation analysis

PDB id:

3m5e

Name:

Lyase/lyase inhibitor

Title:

Crystal structure of human carbonic anhydrase isozyme ii with 4-{[n- (6-chloro-5-formyl-2-methylthiopyrimidin-4-yl) amino]methyl}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:

1.70Å R-factor: 0.168 R-free: 0.202

Authors:

S.Grazulis,E.Manakova,D.Golovenko

Key ref:

J.Sūdžius et al. (2010). 4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII. Bioorg Med Chem Lett, 18, 7413-7421. PubMed id: 20889345

Date:

12-Mar-10 Release date: 20-Oct-10

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

Bioorg Med Chem Lett 18:7413-7421 (2010)

PubMed id: 20889345

4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII.

J.Sūdžius, L.Baranauskienė, D.Golovenko, J.Matulienė, V.Michailovienė, J.Torresan, J.Jachno, R.Sukackaitė, E.Manakova, S.Gražulis, S.Tumkevičius, D.Matulis.

ABSTRACT

No abstract given.