Zinc in PDB 2osf: Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study

All present enzymatic activity of Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study:
4.2.1.1;

The structure of Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study, PDB code: 2osf was solved by A.B.Albert, G.Caroli, L.Govindasamy, M.Agbandje-Mckenna, R.Mckenna, B.C.Tripp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.751, 41.705, 72.877, 90.00, 104.65, 90.00
R / Rfree (%)	n/a / 21.1

The binding sites of Zinc atom in the Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study (pdb code 2osf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study, PDB code: 2osf:

Zinc binding site 1 out of 1 in the Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:9.8 occ:1.00 NE2 A:HIS96 2.0 8.7 1.0 ND1 A:HIS119 2.1 8.2 1.0 NE2 A:HIS94 2.1 9.8 1.0 S1 A:TH0263 2.2 24.5 1.0 CE1 A:HIS96 3.0 9.8 1.0 CE1 A:HIS119 3.0 8.7 1.0 CD2 A:HIS94 3.0 9.2 1.0 CD2 A:HIS96 3.0 8.2 1.0 CG A:HIS119 3.2 5.2 1.0 CE1 A:HIS94 3.2 11.2 1.0 C3 A:TH0263 3.2 38.7 1.0 CB A:HIS119 3.6 4.9 1.0 OG1 A:THR198 3.9 12.0 1.0 O1 A:TH0263 3.9 44.6 1.0 C4 A:TH0263 4.0 34.0 1.0 OE1 A:GLU106 4.0 15.8 1.0 C2 A:TH0263 4.0 38.1 1.0 ND1 A:HIS96 4.1 9.6 1.0 CG A:HIS96 4.1 7.2 1.0 NE2 A:HIS119 4.2 6.0 1.0 CG A:HIS94 4.2 6.9 1.0 ND1 A:HIS94 4.2 7.1 1.0 CD2 A:HIS119 4.2 6.7 1.0 O A:HOH8052 4.3 26.3 1.0 CD A:GLU106 5.0 16.4 1.0

A.A.Barrese, C.Genis, S.Z.Fisher, J.N.Orwenyo, M.T.Kumara, S.K.Dutta, E.Phillips, J.J.Kiddle, C.Tu, D.N.Silverman, L.Govindasamy, M.Agbandje-Mckenna, R.Mckenna, B.C.Tripp. Inhibition of Carbonic Anhydrase II By Thioxolone: A Mechanistic and Structural Study. Biochemistry V. 47 3174 2008.
ISSN: ISSN 0006-2960
PubMed: 18266323
DOI: 10.1021/BI702385K