Chlorine in PDB 2nns: Structure of Inhibitor Binding to Carbonic Anhydrase II

All present enzymatic activity of Structure of Inhibitor Binding to Carbonic Anhydrase II:
4.2.1.1;

The structure of Structure of Inhibitor Binding to Carbonic Anhydrase II, PDB code: 2nns was solved by D.W.Christianson, K.M.Jude, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.03
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.264, 41.338, 71.975, 90.00, 104.50, 90.00
R / Rfree (%)	12.9 / 16.4

The structure of Structure of Inhibitor Binding to Carbonic Anhydrase II also contains other interesting chemical elements:

Mercury	(Hg)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Structure of Inhibitor Binding to Carbonic Anhydrase II (pdb code 2nns). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Inhibitor Binding to Carbonic Anhydrase II, PDB code: 2nns:

Chlorine binding site 1 out of 1 in the Structure of Inhibitor Binding to Carbonic Anhydrase II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Inhibitor Binding to Carbonic Anhydrase II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl321 b:18.9 occ:0.34 HG A:CMH206 1.6 23.5 0.3 CM A:CMH206 2.2 67.5 0.3 O A:VAL135 2.8 22.1 1.0 O A:HOH614 2.8 46.9 1.0 O A:HOH680 3.1 19.7 1.0 SG A:CMH206 3.1 33.5 0.3 CA A:GLN136 3.6 15.2 1.0 C A:GLN136 3.6 13.2 1.0 C A:VAL135 3.8 14.0 1.0 O A:GLN136 3.9 15.1 1.0 N A:GLN137 4.0 10.6 1.0 CB A:LEU204 4.0 8.8 1.0 O A:HOH636 4.2 29.1 1.0 N A:GLN136 4.2 13.7 1.0 CD2 A:LEU204 4.2 16.1 1.0 CB A:CMH206 4.2 12.2 0.7 N A:GLU205 4.2 7.9 1.0 CB A:CMH206 4.4 8.2 0.3 O A:GLU205 4.5 9.1 1.0 CG A:LEU204 4.5 10.7 1.0 C A:GLU205 4.5 7.6 1.0 O A:GLN137 4.5 9.3 1.0 O A:HOH618 4.6 31.4 1.0 C A:GLN137 4.7 10.1 1.0 CA A:LEU204 4.7 7.7 1.0 CD1 A:LEU204 4.7 12.2 1.0 C A:LEU204 4.7 7.3 1.0 N A:CMH206 4.8 7.3 1.0 CB A:GLN136 4.8 18.1 1.0 CA A:GLN137 4.8 9.7 1.0 CA A:CMH206 4.9 7.3 1.0 CA A:GLU205 4.9 7.6 1.0

D.K.Srivastava, K.M.Jude, A.L.Banerjee, M.Haldar, S.Manokaran, J.Kooren, S.Mallik, D.W.Christianson. Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc. V. 129 5528 2007.
ISSN: ISSN 0002-7863
PubMed: 17407288
DOI: 10.1021/JA068359W