Zinc in PDB 3czv: Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide

All present enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide:
4.2.1.1;

The structure of Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide, PDB code: 3czv was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.030, 81.567, 112.374, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.7

The binding sites of Zinc atom in the Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide (pdb code 3czv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide, PDB code: 3czv:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:11.6 occ:1.00 NE2 A:HIS94 2.0 9.2 1.0 N1 A:AZM263 2.0 13.5 1.0 NE2 A:HIS96 2.0 8.9 1.0 ND1 A:HIS119 2.0 6.1 1.0 CD2 A:HIS94 2.9 11.3 1.0 CE1 A:HIS119 2.9 6.9 1.0 CD2 A:HIS96 2.9 8.0 1.0 CE1 A:HIS94 3.1 13.2 1.0 CE1 A:HIS96 3.1 11.4 1.0 O2 A:AZM263 3.1 13.9 1.0 S1 A:AZM263 3.1 15.6 1.0 CG A:HIS119 3.1 6.6 1.0 CB A:HIS119 3.6 6.2 1.0 OG1 A:THR199 3.7 11.4 1.0 OE1 A:GLU106 4.0 12.8 1.0 NE2 A:HIS119 4.0 8.0 1.0 CG A:HIS94 4.1 11.2 1.0 CG A:HIS96 4.1 11.2 1.0 O1 A:AZM263 4.1 19.5 1.0 ND1 A:HIS94 4.1 11.8 1.0 ND1 A:HIS96 4.1 9.5 1.0 CD2 A:HIS119 4.2 6.3 1.0 C1 A:AZM263 4.3 20.4 1.0 CD A:GLU106 4.8 14.3 1.0 CH2 A:TRP209 4.9 10.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Human Carbonic Anhydrase XIII in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn262 b:12.5 occ:1.00 NE2 B:HIS94 2.0 11.2 1.0 N1 B:AZM263 2.0 18.0 1.0 NE2 B:HIS96 2.1 8.0 1.0 ND1 B:HIS119 2.1 7.5 1.0 CD2 B:HIS96 2.9 5.5 1.0 CD2 B:HIS94 2.9 10.2 1.0 CE1 B:HIS119 2.9 8.2 1.0 O2 B:AZM263 3.0 18.5 1.0 CE1 B:HIS94 3.0 11.0 1.0 S1 B:AZM263 3.1 18.2 1.0 CG B:HIS119 3.2 7.7 1.0 CE1 B:HIS96 3.2 8.3 1.0 CB B:HIS119 3.6 6.5 1.0 OG1 B:THR199 3.8 8.5 1.0 OE1 B:GLU106 3.9 10.9 1.0 CG B:HIS94 4.1 12.5 1.0 CG B:HIS96 4.1 7.5 1.0 ND1 B:HIS94 4.1 8.8 1.0 NE2 B:HIS119 4.1 8.3 1.0 O1 B:AZM263 4.1 21.9 1.0 ND1 B:HIS96 4.2 7.7 1.0 CD2 B:HIS119 4.2 7.7 1.0 C1 B:AZM263 4.2 24.6 1.0 O B:HOH1275 4.8 48.5 1.0 CD B:GLU106 4.9 12.9 1.0 CH2 B:TRP209 5.0 11.3 1.0 S2 B:AZM263 5.0 25.1 1.0

A.Di Fiore, S.M.Monti, M.Hilvo, S.Parkkila, V.Romano, A.Scaloni, C.Pedone, A.Scozzafava, C.T.Supuran, G.De Simone. Crystal Structure of Human Carbonic Anhydrase XIII and Its Complex with the Inhibitor Acetazolamide. Proteins V. 74 164 2008.
ISSN: ISSN 0887-3585
PubMed: 18618712
DOI: 10.1002/PROT.22144