Zinc in PDB 2fou: Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors:
4.2.1.1;

The structure of Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors, PDB code: 2fou was solved by K.M.Jude, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.00 / 0.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.557, 41.704, 72.710, 90.00, 104.38, 90.00
R / Rfree (%)	12.3 / 13.5

The structure of Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors also contains other interesting chemical elements:

Mercury	(Hg)	1 atom
Copper	(Cu)	2 atoms

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors (pdb code 2fou). 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 Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors, PDB code: 2fou:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II Complexed with Two-Prong Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:5.3 occ:1.00 N1 A:B22301 1.9 6.2 1.0 NE2 A:HIS94 2.0 5.8 1.0 NE2 A:HIS96 2.0 5.8 1.0 ND1 A:HIS119 2.0 5.2 1.0 CE1 A:HIS119 2.9 5.4 1.0 CD2 A:HIS96 3.0 5.5 1.0 CD2 A:HIS94 3.0 5.7 1.0 O2 A:B22301 3.0 7.2 1.0 S A:B22301 3.0 6.4 1.0 CE1 A:HIS94 3.0 5.6 1.0 CE1 A:HIS96 3.0 6.6 1.0 CG A:HIS119 3.1 5.4 1.0 CB A:HIS119 3.6 5.0 1.0 OG1 A:THR199 3.9 6.2 1.0 OE1 A:GLU106 4.0 7.0 1.0 NE2 A:HIS119 4.1 5.9 1.0 O1 A:B22301 4.1 7.2 1.0 ND1 A:HIS94 4.2 6.0 1.0 C4 A:B22301 4.2 7.9 1.0 ND1 A:HIS96 4.2 7.2 1.0 CG A:HIS94 4.2 5.9 1.0 CG A:HIS96 4.2 5.8 1.0 CD2 A:HIS119 4.2 5.9 1.0 C3 A:GOL351 4.6 11.7 1.0 C3 A:B22301 4.8 8.3 1.0 CD A:GLU106 4.9 6.5 1.0 C5 A:B22301 5.0 11.3 1.0

K.M.Jude, A.L.Banerjee, M.K.Haldar, S.Manokaran, B.Roy, S.Mallik, D.K.Srivastava, D.W.Christianson. Ultrahigh Resolution Crystal Structures of Human Carbonic Anhydrases I and II Complexed with Two-Prong Inhibitors Reveal the Molecular Basis of High Affinity. J.Am.Chem.Soc. V. 128 3011 2006.
ISSN: ISSN 0002-7863
PubMed: 16506782
DOI: 10.1021/JA057257N