Zinc in PDB 4r5b: Human Carbonic Anhydrase II in Complex with A Carbohydrate-Based Sulfamate

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with A Carbohydrate-Based Sulfamate:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with A Carbohydrate-Based Sulfamate, PDB code: 4r5b was solved by B.P.Mahon, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.85 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.380, 41.405, 72.304, 90.00, 104.36, 90.00
R / Rfree (%)	15.8 / 18.6

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with A Carbohydrate-Based Sulfamate (pdb code 4r5b). 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 A Carbohydrate-Based Sulfamate, PDB code: 4r5b:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with A Carbohydrate-Based Sulfamate


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 A Carbohydrate-Based Sulfamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:16.4 occ:1.00 NE2 A:HIS94 2.0 14.6 1.0 NE2 A:HIS96 2.0 15.2 1.0 ND1 A:HIS119 2.1 15.9 1.0 NAA A:3J4303 2.1 15.4 1.0 CE1 A:HIS119 2.9 13.6 1.0 CD2 A:HIS94 3.0 15.9 1.0 CD2 A:HIS96 3.0 15.7 1.0 CE1 A:HIS94 3.0 14.9 1.0 CE1 A:HIS96 3.0 15.0 1.0 SAW A:3J4303 3.1 17.0 1.0 OAB A:3J4303 3.1 17.9 1.0 CG A:HIS119 3.2 14.5 1.0 CB A:HIS119 3.6 13.6 1.0 OG1 A:THR199 3.9 15.6 1.0 OE1 A:GLU106 4.0 15.1 1.0 OAO A:3J4303 4.0 22.4 1.0 OAC A:3J4303 4.1 16.5 1.0 NE2 A:HIS119 4.1 13.4 1.0 ND1 A:HIS94 4.1 14.7 1.0 CG A:HIS94 4.1 14.4 1.0 ND1 A:HIS96 4.1 15.2 1.0 CG A:HIS96 4.2 13.9 1.0 CD2 A:HIS119 4.2 14.8 1.0 CAP A:3J4303 4.2 23.4 0.9 CD A:GLU106 4.9 16.6 1.0 CAK A:3J4303 4.9 26.0 1.0

J.Moeker, B.P.Mahon, L.F.Bornaghi, D.Vullo, C.T.Supuran, R.Mckenna, S.A.Poulsen. Structural Insights Into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem. V. 57 8635 2014.
ISSN: ISSN 0022-2623
PubMed: 25254302
DOI: 10.1021/JM5012935