Zinc in PDB 4n16: Structure of Cholate Bound to Human Carbonic Anhydrase II

All present enzymatic activity of Structure of Cholate Bound to Human Carbonic Anhydrase II:
4.2.1.1;

The structure of Structure of Cholate Bound to Human Carbonic Anhydrase II, PDB code: 4n16 was solved by C.D.Boone, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.358, 41.595, 71.931, 90.00, 104.53, 90.00
R / Rfree (%)	14.5 / 17.1

The binding sites of Zinc atom in the Structure of Cholate Bound to Human Carbonic Anhydrase II (pdb code 4n16). 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 Structure of Cholate Bound to Human Carbonic Anhydrase II, PDB code: 4n16:

Zinc binding site 1 out of 1 in the Structure of Cholate Bound to Human Carbonic Anhydrase II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Cholate Bound to Human Carbonic Anhydrase II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn307 b:3.8 occ:1.00 NE2 A:HIS94 2.0 2.0 1.0 O26 A:CHD301 2.0 3.9 1.0 NE2 A:HIS96 2.0 2.2 1.0 ND1 A:HIS119 2.1 0.7 1.0 O25 A:CHD301 2.6 6.5 1.0 C24 A:CHD301 2.6 4.9 1.0 CE1 A:HIS119 2.9 2.0 1.0 CE1 A:HIS94 3.0 2.6 1.0 CD2 A:HIS94 3.0 3.5 1.0 CD2 A:HIS96 3.0 2.6 1.0 CE1 A:HIS96 3.0 4.1 1.0 HE1 A:HIS119 3.0 2.5 1.0 HD2 A:HIS96 3.1 3.1 1.0 HE1 A:HIS94 3.1 3.1 1.0 HD2 A:HIS94 3.2 4.2 1.0 CG A:HIS119 3.2 1.2 1.0 HE1 A:HIS96 3.2 4.9 1.0 HB2 A:HIS119 3.2 0.7 1.0 HG1 A:THR199 3.4 3.9 1.0 CB A:HIS119 3.6 0.6 1.0 OG1 A:THR199 3.8 3.3 1.0 HB3 A:HIS119 3.8 0.7 1.0 OE1 A:GLU106 4.0 4.2 1.0 ND1 A:HIS94 4.1 4.1 1.0 C23 A:CHD301 4.1 9.7 1.0 NE2 A:HIS119 4.1 2.6 1.0 ND1 A:HIS96 4.1 2.4 1.0 CG A:HIS94 4.1 3.8 1.0 CG A:HIS96 4.1 3.7 1.0 O A:HOH411 4.1 7.0 1.0 CD2 A:HIS119 4.2 2.6 1.0 HH2 A:TRP209 4.4 3.8 1.0 O A:HOH402 4.6 6.9 1.0 C22 A:CHD301 4.7 9.3 1.0 HD1 A:HIS94 4.8 4.9 1.0 HE2 A:HIS119 4.8 3.1 1.0 HD1 A:HIS96 4.9 2.9 1.0 HG23 A:THR200 4.9 4.1 1.0 CD A:GLU106 5.0 4.8 1.0

C.D.Boone, C.Tu, R.Mckenna. Structural Elucidation of the Hormonal Inhibition Mechanism of the Bile Acid Cholate on Human Carbonic Anhydrase II. Acta Crystallogr.,Sect.D V. 70 1758 2014.
ISSN: ISSN 0907-4449
PubMed: 24914985
DOI: 10.1107/S1399004714007457