Zinc in PDB 5byi: Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D)

All present enzymatic activity of Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D):
4.2.1.1;

The structure of Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D), PDB code: 5byi was solved by M.Groll, J.Broichhagen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.050, 41.220, 71.930, 90.00, 104.23, 90.00
R / Rfree (%)	17.1 / 18.7

The structure of Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D) also contains other interesting chemical elements:

Mercury	(Hg)	1 atom
Potassium	(K)	2 atoms

The binding sites of Zinc atom in the Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D) (pdb code 5byi). 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 with An Azobenzene Inhibitor (1D), PDB code: 5byi:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D)


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 with An Azobenzene Inhibitor (1D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:3.5 occ:1.00 N8 A:4WA303 2.0 4.1 1.0 NE2 A:HIS94 2.0 4.0 1.0 ND1 A:HIS119 2.1 3.0 1.0 NE2 A:HIS96 2.1 3.8 1.0 CE1 A:HIS119 2.9 3.3 1.0 CD2 A:HIS94 3.0 3.9 1.0 O10 A:4WA303 3.0 4.2 1.0 CD2 A:HIS96 3.0 3.8 1.0 CE1 A:HIS94 3.0 4.1 1.0 S18 A:4WA303 3.0 4.0 1.0 CE1 A:HIS96 3.1 4.3 1.0 CG A:HIS119 3.1 2.9 1.0 CB A:HIS119 3.6 3.5 1.0 O A:HOH585 3.6 9.1 1.0 OG1 A:THR198 3.8 4.0 1.0 OE1 A:GLU106 4.0 4.2 1.0 O9 A:4WA303 4.1 4.1 1.0 NE2 A:HIS119 4.1 3.4 1.0 ND1 A:HIS94 4.1 4.2 1.0 CG A:HIS94 4.1 4.3 1.0 ND1 A:HIS96 4.2 4.7 1.0 CG A:HIS96 4.2 3.8 1.0 C4 A:4WA303 4.2 5.1 1.0 CD2 A:HIS119 4.2 3.2 1.0 O A:HOH700 4.5 18.2 1.0 C5 A:4WA303 4.9 5.9 1.0 CD A:GLU106 4.9 4.1 1.0 C3 A:4WA303 5.0 6.1 1.0

L.S.Runtsch, D.M.Barber, P.Mayer, M.Groll, D.Trauner, J.Broichhagen. Azobenzene-Based Inhibitors of Human Carbonic Anhydrase II. Beilstein J Org Chem V. 11 1129 2015.
ISSN: ISSN 1860-5397
PubMed: 26199669
DOI: 10.3762/BJOC.11.127