Zinc in PDB 3p5a: Human Carbonic Anhydrase Complexed with Sodium Morpholinocarbodithioate

All present enzymatic activity of Human Carbonic Anhydrase Complexed with Sodium Morpholinocarbodithioate:
4.2.1.1;

The structure of Human Carbonic Anhydrase Complexed with Sodium Morpholinocarbodithioate, PDB code: 3p5a was solved by M.Aggarwal, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.32 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.262, 41.210, 72.151, 90.00, 104.21, 90.00
R / Rfree (%)	14.8 / 16.9

The binding sites of Zinc atom in the Human Carbonic Anhydrase Complexed with Sodium Morpholinocarbodithioate (pdb code 3p5a). 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 Complexed with Sodium Morpholinocarbodithioate, PDB code: 3p5a:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase Complexed with Sodium Morpholinocarbodithioate


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 Complexed with Sodium Morpholinocarbodithioate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:11.4 occ:1.00 NE2 A:HIS96 2.0 9.6 1.0 NE2 A:HIS94 2.1 10.2 1.0 ND1 A:HIS119 2.1 10.7 1.0 SAB A:IT2263 2.3 20.1 1.0 CE1 A:HIS119 2.9 8.0 1.0 CD2 A:HIS94 3.0 10.5 1.0 CE1 A:HIS96 3.0 10.5 1.0 CD2 A:HIS96 3.0 9.4 1.0 CE1 A:HIS94 3.0 9.7 1.0 CG A:HIS119 3.2 9.1 1.0 CAH A:IT2263 3.2 20.7 1.0 SAA A:IT2263 3.4 18.9 1.0 CB A:HIS119 3.6 8.6 1.0 O A:HOH531 3.8 28.3 1.0 OG1 A:THR199 3.8 10.2 1.0 OE1 A:GLU106 4.1 10.1 1.0 NE2 A:HIS119 4.1 8.9 1.0 ND1 A:HIS96 4.2 10.0 1.0 ND1 A:HIS94 4.2 10.2 1.0 O A:HOH391 4.2 22.7 1.0 CG A:HIS94 4.2 9.9 1.0 CG A:HIS96 4.2 11.2 1.0 N A:IT2263 4.2 23.2 1.0 CD2 A:HIS119 4.2 9.1 1.0 CAF A:IT2263 4.9 25.6 1.0

F.Carta, M.Aggarwal, A.Maresca, A.Scozzafava, R.Mckenna, E.Masini, C.T.Supuran. Dithiocarbamates Strongly Inhibit Carbonic Anhydrases and Show Antiglaucoma Action in Vivo J.Med.Chem. V. 55 1721 2012.
ISSN: ISSN 0022-2623
PubMed: 22276570
DOI: 10.1021/JM300031J