Zinc in PDB 5clu: The Crystal Structure of the Complex of Hcaii with A Saccharine Derivative

All present enzymatic activity of The Crystal Structure of the Complex of Hcaii with A Saccharine Derivative:
4.2.1.1;

The structure of The Crystal Structure of the Complex of Hcaii with A Saccharine Derivative, PDB code: 5clu was solved by K.D'ambrosio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.370, 41.070, 72.060, 90.00, 104.23, 90.00
R / Rfree (%)	16 / 18.6

The binding sites of Zinc atom in the The Crystal Structure of the Complex of Hcaii with A Saccharine Derivative (pdb code 5clu). 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 The Crystal Structure of the Complex of Hcaii with A Saccharine Derivative, PDB code: 5clu:

Zinc binding site 1 out of 1 in the The Crystal Structure of the Complex of Hcaii with A Saccharine Derivative


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of the Complex of Hcaii with A Saccharine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:7.2 occ:1.00 O3 A:S8A302 2.0 8.7 1.0 NE2 A:HIS94 2.0 3.4 1.0 NE2 A:HIS96 2.0 3.9 1.0 ND1 A:HIS119 2.1 5.4 1.0 C6 A:S8A302 2.7 8.4 1.0 O2 A:S8A302 2.9 10.2 1.0 CD2 A:HIS96 2.9 5.4 1.0 CE1 A:HIS119 3.0 3.0 1.0 CE1 A:HIS94 3.0 5.1 1.0 CD2 A:HIS94 3.0 6.0 1.0 CE1 A:HIS96 3.1 5.9 1.0 CG A:HIS119 3.1 3.4 1.0 CB A:HIS119 3.5 3.9 1.0 O A:HOH448 3.6 13.3 1.0 OE1 A:GLU106 4.0 6.1 1.0 OG1 A:THR199 4.1 4.7 1.0 ND1 A:HIS94 4.1 5.4 1.0 NE2 A:HIS119 4.1 4.4 1.0 CG A:HIS94 4.1 4.7 1.0 CG A:HIS96 4.1 4.3 1.0 C4 A:S8A302 4.2 10.6 1.0 ND1 A:HIS96 4.2 5.0 1.0 CD2 A:HIS119 4.2 3.9 1.0 C3 A:GOL303 4.4 12.0 1.0 N1 A:S8A302 4.8 10.2 1.0 CD A:GLU106 5.0 6.8 1.0 O5 A:S8A302 5.0 12.7 1.0 CA A:HIS119 5.0 5.8 1.0

E.Langella, K.D'ambrosio, M.D'ascenzio, S.Carradori, S.M.Monti, C.T.Supuran, G.De Simone. A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases. Chemistry V. 22 97 2016.
ISSN: ISSN 0947-6539
PubMed: 26507456
DOI: 10.1002/CHEM.201503748