Zinc in PDB 4e5q: Human Carbonic Anhydrase II in Complex with Cyanate

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Cyanate:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with Cyanate, PDB code: 4e5q was solved by D.West, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.192, 41.010, 71.536, 90.00, 104.51, 90.00
R / Rfree (%)	17.2 / 20.1

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with Cyanate (pdb code 4e5q). 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 in Complex with Cyanate, PDB code: 4e5q:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Cyanate


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 in Complex with Cyanate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:19.2 occ:1.00 NE2 A:HIS94 2.0 16.3 1.0 N A:0NM302 2.0 18.5 1.0 NE2 A:HIS96 2.0 16.3 1.0 ND1 A:HIS119 2.1 21.6 1.0 CE1 A:HIS94 2.9 17.6 1.0 CD2 A:HIS96 2.9 16.9 1.0 C A:0NM302 2.9 19.9 1.0 CE1 A:HIS119 3.0 19.5 1.0 HD2 A:HIS96 3.0 20.3 1.0 CD2 A:HIS94 3.0 19.6 1.0 HE1 A:HIS94 3.0 21.1 1.0 HE1 A:HIS119 3.1 23.4 1.0 CE1 A:HIS96 3.1 19.9 1.0 HB2 A:HIS119 3.1 22.6 1.0 CG A:HIS119 3.1 17.7 1.0 HD2 A:HIS94 3.3 23.6 1.0 HE1 A:HIS96 3.4 23.8 1.0 CB A:HIS119 3.5 18.8 1.0 HG1 A:THR199 3.6 20.3 1.0 HB3 A:HIS119 3.7 22.6 1.0 O A:HOH415 3.7 21.3 1.0 OG1 A:THR199 4.0 16.9 1.0 OE1 A:GLU106 4.0 19.3 1.0 ND1 A:HIS94 4.0 20.9 1.0 O A:0NM302 4.1 19.7 1.0 CG A:HIS96 4.1 16.7 1.0 CG A:HIS94 4.1 19.8 1.0 NE2 A:HIS119 4.1 16.6 1.0 ND1 A:HIS96 4.2 17.1 1.0 CD2 A:HIS119 4.2 18.4 1.0 HH2 A:TRP209 4.2 28.8 1.0 O A:HOH450 4.4 23.4 1.0 HD1 A:HIS94 4.8 25.1 1.0 HE2 A:HIS119 4.9 19.9 1.0 HG11 A:VAL143 4.9 22.0 1.0 CD A:GLU106 5.0 21.9 1.0 HD1 A:HIS96 5.0 20.5 1.0 CA A:HIS119 5.0 23.4 1.0

D.West, M.A.Pinard, C.Tu, D.N.Silverman, R.Mckenna. Human Carbonic Anhydrase II-Cyanate Inhibitor Complex: Putting the Debate to Rest. Acta Crystallogr F Struct V. 70 1324 2014BIOL Commun.
ISSN: ESSN 1744-3091
PubMed: 25286933
DOI: 10.1107/S2053230X14018135