PDBsum entry 3r17

Lyase

PDB id: 3r17

Contents

Protein chain

257 a.a.

Ligands

GOL ×2

5UM

DMS

Metals

_ZN

Waters ×283

PDB id:

3r17

Name:

Lyase

Title:

Hcarbonic anhydrase ii bound to n-(2-fluoro.4-sulfamoylphenyl)-2- (thiophen-2-yl) acetamide

Structure:

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

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: ca2. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.70Å R-factor: 0.153 R-free: 0.194

Authors:

S.Biswas,R.Mckenna

Key ref:

S.Biswas et al. (2011). Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms. Bioorg Med Chem Lett, 19, 3732-3738. PubMed id: 21620713

Date:

09-Mar-11 Release date: 25-May-11

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

Bioorg Med Chem Lett 19:3732-3738 (2011)

PubMed id: 21620713

Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.

S.Biswas, M.Aggarwal, Ã.–.Güzel, A.Scozzafava, R.McKenna, C.T.Supuran.

ABSTRACT

No abstract given.