Zinc in PDB 6fji: Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Apo).

All present enzymatic activity of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Apo).:
4.2.1.1;

The structure of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Apo)., PDB code: 6fji was solved by S.Z.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.480, 41.850, 72.831, 90.00, 104.07, 90.00
R / Rfree (%)	18.5 / 22.2

The binding sites of Zinc atom in the Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Apo). (pdb code 6fji). 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 Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Apo)., PDB code: 6fji:

Zinc binding site 1 out of 1 in the Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Apo).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Apo). within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn300 b:2.3 occ:1.00 O A:DOD510 1.9 4.3 1.0 NE2 A:HIS96 2.0 0.6 1.0 ND1 A:HIS119 2.0 2.1 1.0 NE2 A:HIS94 2.1 2.8 1.0 D1 A:DOD510 2.3 5.2 1.0 D2 A:DOD510 2.7 5.2 1.0 CE1 A:HIS119 2.9 0.8 1.0 CD2 A:HIS96 3.0 2.8 1.0 HE1 A:HIS119 3.0 1.0 1.0 D2 A:DOD473 3.0 16.4 1.0 CD2 A:HIS94 3.0 2.7 1.0 CE1 A:HIS96 3.0 3.6 1.0 CE1 A:HIS94 3.1 3.5 1.0 HD2 A:HIS96 3.1 3.4 1.0 CG A:HIS119 3.1 2.6 1.0 HD2 A:HIS94 3.2 3.2 1.0 HE1 A:HIS96 3.2 4.3 1.0 HB2 A:HIS119 3.3 0.5 1.0 HE1 A:HIS94 3.3 4.2 1.0 HG1 A:THR198 3.6 4.6 0.1 DG1 A:THR198 3.6 4.6 0.9 CB A:HIS119 3.6 0.4 1.0 O A:DOD473 3.8 13.6 1.0 D1 A:DOD473 3.8 16.4 1.0 HB3 A:HIS119 3.8 0.5 1.0 OG1 A:THR198 3.9 3.9 1.0 O A:DOD555 3.9 17.3 1.0 OE1 A:GLU106 3.9 3.2 1.0 D2 A:DOD555 3.9 20.8 1.0 NE2 A:HIS119 4.1 1.7 1.0 ND1 A:HIS96 4.1 4.1 1.0 CG A:HIS96 4.1 1.3 1.0 CG A:HIS94 4.2 1.7 1.0 ND1 A:HIS94 4.2 3.9 1.0 CD2 A:HIS119 4.2 2.2 1.0 D2 A:DOD448 4.3 27.9 1.0 HH2 A:TRP208 4.4 5.9 1.0 D1 A:DOD555 4.6 20.8 1.0 HG23 A:THR199 4.7 9.6 1.0 O A:DOD448 4.7 23.2 1.0 HE2 A:HIS119 4.8 2.1 0.1 DE2 A:HIS119 4.8 2.1 0.9 D1 A:DOD544 4.9 31.3 1.0 CD A:GLU106 4.9 5.4 1.0 HD1 A:HIS96 4.9 4.9 0.3 DD1 A:HIS96 4.9 4.9 0.7 D1 A:DOD448 4.9 27.9 1.0 DD1 A:HIS94 5.0 4.7 1.0 HD1 A:HIS94 5.0 4.7 0.0

K.Koruza, B.P.Mahon, M.P.Blakeley, A.Ostermann, T.E.Schrader, R.Mckenna, W.Knecht, S.Z.Fisher. Using Neutron Crystallography to Elucidate the Basis of Selective Inhibition of Carbonic Anhydrase By Saccharin and A Derivative. J. Struct. Biol. V. 205 147 2019.
ISSN: ESSN 1095-8657
PubMed: 30639924
DOI: 10.1016/J.JSB.2018.12.009