Zinc in PDB 5ekj: Human Carbonic Anhydrase II Complexed with A Two-Faced Guest

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with A Two-Faced Guest:
4.2.1.1;

The structure of Human Carbonic Anhydrase II Complexed with A Two-Faced Guest, PDB code: 5ekj was solved by B.W.Roose, I.J.Dmochowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.93 / 1.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.350, 41.350, 72.130, 90.00, 104.15, 90.00
R / Rfree (%)	13.4 / 15.1

The structure of Human Carbonic Anhydrase II Complexed with A Two-Faced Guest also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Complexed with A Two-Faced Guest (pdb code 5ekj). 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 A Two-Faced Guest, PDB code: 5ekj:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with A Two-Faced Guest


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 A Two-Faced Guest within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:3.7 occ:1.00 N17 A:TG4303 1.9 4.6 1.0 NE2 A:HIS94 2.0 3.7 1.0 NE2 A:HIS96 2.0 4.1 1.0 ND1 A:HIS119 2.0 3.8 1.0 CE1 A:HIS119 2.9 3.6 1.0 CD2 A:HIS94 3.0 3.7 1.0 CD2 A:HIS96 3.0 4.0 1.0 O16 A:TG4303 3.0 5.0 1.0 S05 A:TG4303 3.0 4.4 1.0 CE1 A:HIS94 3.0 3.6 1.0 CE1 A:HIS96 3.1 4.6 1.0 CG A:HIS119 3.1 3.7 1.0 CB A:HIS119 3.6 3.8 1.0 OG1 A:THR199 3.9 4.3 1.0 OE1 A:GLU106 4.0 4.5 1.0 NE2 A:HIS119 4.1 4.0 1.0 O15 A:TG4303 4.1 4.9 1.0 ND1 A:HIS94 4.1 3.9 1.0 CG A:HIS94 4.2 3.6 1.0 ND1 A:HIS96 4.2 5.1 1.0 C10 A:TG4303 4.2 5.4 1.0 CG A:HIS96 4.2 4.2 1.0 CD2 A:HIS119 4.2 3.7 1.0 C1 A:GOL302 4.5 7.5 1.0 C11 A:TG4303 4.8 5.6 1.0 CD A:GLU106 4.9 4.7 1.0 C09 A:TG4303 5.0 6.7 1.0

Y.Wang, B.W.Roose, J.P.Philbin, J.L.Doman, I.J.Dmochowski. Programming A Molecular Relay For Ultrasensitive Biodetection Through (129) Xe uc(Nmr). Angew.Chem.Int.Ed.Engl. V. 55 1733 2016.
ISSN: ESSN 1521-3773
PubMed: 26692420
DOI: 10.1002/ANIE.201508990