Zinc in PDB 3tmj: Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II at pH 7.8

All present enzymatic activity of Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II at pH 7.8:
4.2.1.1;

The structure of Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II at pH 7.8, PDB code: 3tmj was solved by Z.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.830, 41.700, 72.920, 90.00, 104.58, 90.00
R / Rfree (%)	28 / 29.4

The binding sites of Zinc atom in the Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II at pH 7.8 (pdb code 3tmj). 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 Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II at pH 7.8, PDB code: 3tmj:

Zinc binding site 1 out of 1 in the Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II at pH 7.8


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Joint X-Ray/Neutron Structure of Human Carbonic Anhydrase II at pH 7.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:12.1 occ:1.00 NE2 A:HIS96 2.1 11.4 1.0 NE2 A:HIS94 2.1 12.0 1.0 O A:DOD900 2.1 21.7 1.0 ND1 A:HIS119 2.2 11.2 1.0 D1 A:DOD900 2.6 24.5 1.0 D2 A:DOD900 2.9 26.2 1.0 D2 A:DOD902 2.9 31.9 1.0 CD2 A:HIS96 3.0 13.0 1.0 CD2 A:HIS94 3.0 12.8 1.0 CE1 A:HIS119 3.0 10.2 1.0 CE1 A:HIS94 3.1 12.5 1.0 HE1 A:HIS119 3.1 11.3 1.0 CE1 A:HIS96 3.1 11.9 1.0 HD2 A:HIS96 3.1 12.4 1.0 HD2 A:HIS94 3.2 11.2 1.0 HB2 A:HIS119 3.2 10.4 1.0 CG A:HIS119 3.3 10.1 1.0 HE1 A:HIS94 3.4 13.6 1.0 HE1 A:HIS96 3.4 9.4 1.0 DG1 A:THR199 3.6 12.2 0.9 D1 A:DOD902 3.7 31.6 1.0 CB A:HIS119 3.7 9.1 1.0 O A:DOD902 3.8 26.9 1.0 HB3 A:HIS119 3.9 11.0 1.0 OG1 A:THR199 3.9 11.6 1.0 D2 A:DOD901 4.0 36.2 1.0 OE1 A:GLU106 4.0 13.5 1.0 O A:DOD901 4.1 35.3 1.0 CG A:HIS96 4.1 9.9 1.0 CG A:HIS94 4.1 10.7 1.0 NE2 A:HIS119 4.2 10.1 1.0 ND1 A:HIS94 4.2 10.8 1.0 HH2 A:TRP209 4.2 14.2 1.0 ND1 A:HIS96 4.2 12.0 1.0 CD2 A:HIS119 4.3 11.3 1.0 O A:DOD903 4.4 28.8 1.0 HG21 A:THR200 4.5 17.5 1.0 D1 A:DOD903 4.6 30.1 1.0 D1 A:DOD901 4.7 37.7 1.0 CD A:GLU106 4.9 14.0 1.0 D A:THR199 4.9 10.6 0.7

Z.Fisher, A.Y.Kovalevsky, M.Mustyakimov, D.N.Silverman, R.Mckenna, P.Langan. Neutron Structure of Human Carbonic Anhydrase II: A Hydrogen-Bonded Water Network "Switch" Is Observed Between pH 7.8 and 10.0. Biochemistry V. 50 9421 2011.
ISSN: ISSN 0006-2960
PubMed: 21988105
DOI: 10.1021/BI201487B