Zinc in PDB 6mby: Carbonic Anhydrase II in Complex with Ferulic Acid

All present enzymatic activity of Carbonic Anhydrase II in Complex with Ferulic Acid:
4.2.1.1;

The structure of Carbonic Anhydrase II in Complex with Ferulic Acid, PDB code: 6mby was solved by C.L.Lomelino, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.67 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.146, 41.334, 72.051, 90.00, 104.32, 90.00
R / Rfree (%)	15.2 / 17.4

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with Ferulic Acid (pdb code 6mby). 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 Carbonic Anhydrase II in Complex with Ferulic Acid, PDB code: 6mby:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with Ferulic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II in Complex with Ferulic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:8.7 occ:1.00 O A:HOH409 2.0 15.8 0.8 O A:HOH475 2.0 19.6 0.8 NE2 A:HIS96 2.0 7.1 1.0 NE2 A:HIS94 2.0 9.2 1.0 ND1 A:HIS119 2.1 7.3 1.0 CE1 A:HIS119 2.9 5.9 1.0 CD2 A:HIS94 3.0 8.8 1.0 CE1 A:HIS96 3.0 7.3 1.0 CD2 A:HIS96 3.0 9.4 1.0 HE1 A:HIS119 3.0 7.1 1.0 CE1 A:HIS94 3.0 9.3 1.0 HD2 A:HIS94 3.1 10.5 1.0 HE1 A:HIS96 3.1 8.8 1.0 CG A:HIS119 3.2 9.1 1.0 HD2 A:HIS96 3.2 11.3 1.0 HB2 A:HIS119 3.3 7.0 1.0 HE1 A:HIS94 3.3 11.2 1.0 HG1 A:THR199 3.3 11.4 1.0 CB A:HIS119 3.6 5.8 1.0 OG1 A:THR199 3.7 9.5 1.0 O1 A:FER302 3.7 17.0 1.0 HB3 A:HIS119 3.8 7.0 1.0 OE1 A:GLU106 3.9 8.3 1.0 H32 A:GOL303 4.0 21.4 1.0 ND1 A:HIS96 4.1 7.9 1.0 H31 A:GOL303 4.1 21.4 1.0 NE2 A:HIS119 4.1 6.7 1.0 CG A:HIS94 4.1 8.7 1.0 ND1 A:HIS94 4.1 9.9 1.0 CG A:HIS96 4.1 6.4 1.0 CD2 A:HIS119 4.2 7.3 1.0 HH2 A:TRP209 4.3 10.8 1.0 C9 A:FER302 4.3 19.4 1.0 O2 A:FER302 4.3 16.1 1.0 C3 A:GOL303 4.6 17.8 1.0 HG23 A:THR200 4.8 13.0 1.0 CD A:GLU106 4.8 7.8 1.0 H2 A:GOL303 4.8 32.2 1.0 HE2 A:HIS119 4.9 8.1 1.0 HD1 A:HIS96 4.9 9.5 1.0 H A:THR199 4.9 9.6 1.0 HD1 A:HIS94 4.9 11.9 1.0 CB A:THR199 5.0 8.3 1.0

C.L.Lomelino, R.Mckenna. Carbonic Anhydrase II in Complex with Carboxylic Acid-Based Inhibitors. Acta Crystallogr F Struct V. 75 166 2019BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30839290
DOI: 10.1107/S2053230X18018344