Zinc in PDB 1rj6: Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase Xiv in Complex with Acetazolamide

All present enzymatic activity of Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase Xiv in Complex with Acetazolamide:
4.2.1.1;

The structure of Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase Xiv in Complex with Acetazolamide, PDB code: 1rj6 was solved by D.A.Whittington, J.H.Grubb, A.Waheed, G.N.Shah, W.S.Sly, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.200, 75.800, 73.800, 90.00, 99.20, 90.00
R / Rfree (%)	20.7 / 25.3

The binding sites of Zinc atom in the Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase Xiv in Complex with Acetazolamide (pdb code 1rj6). 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 Extracellular Domain of Murine Carbonic Anhydrase Xiv in Complex with Acetazolamide, PDB code: 1rj6:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase Xiv 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 Extracellular Domain of Murine Carbonic Anhydrase Xiv in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:68.0 occ:1.00 N1 A:AZM400 2.2 0.8 1.0 NE2 A:HIS96 2.2 49.1 1.0 NE2 A:HIS94 2.3 54.4 1.0 ND1 A:HIS119 2.3 24.3 1.0 CD2 A:HIS94 2.8 54.4 1.0 CD2 A:HIS96 2.9 49.1 1.0 CE1 A:HIS119 3.1 24.3 1.0 CG A:HIS119 3.2 24.3 1.0 CE1 A:HIS96 3.3 49.1 1.0 S1 A:AZM400 3.3 0.8 1.0 O1 A:AZM400 3.4 0.8 1.0 CE1 A:HIS94 3.5 54.4 1.0 CB A:HIS119 3.6 24.3 1.0 OG1 A:THR199 3.9 63.0 1.0 CG A:HIS94 4.0 54.4 1.0 CG A:HIS96 4.2 49.1 1.0 NE2 A:HIS119 4.2 24.3 1.0 OE2 A:GLU106 4.2 33.6 1.0 CD2 A:HIS119 4.2 24.3 1.0 O2 A:AZM400 4.2 0.8 1.0 ND1 A:HIS96 4.3 49.1 1.0 ND1 A:HIS94 4.4 54.4 1.0 C1 A:AZM400 4.6 0.8 1.0 CD A:GLU106 4.9 33.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase Xiv 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 Extracellular Domain of Murine Carbonic Anhydrase Xiv in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:59.7 occ:1.00 NE2 B:HIS96 2.0 33.6 1.0 NE2 B:HIS94 2.3 42.1 1.0 N1 B:AZM401 2.4 0.0 1.0 ND1 B:HIS119 2.4 35.3 1.0 CD2 B:HIS94 2.7 42.1 1.0 CD2 B:HIS96 2.8 33.6 1.0 O1 B:AZM401 3.1 0.0 1.0 CE1 B:HIS96 3.2 33.6 1.0 CE1 B:HIS119 3.2 35.3 1.0 CG B:HIS119 3.2 35.3 1.0 S1 B:AZM401 3.3 0.0 1.0 CE1 B:HIS94 3.6 42.1 1.0 CB B:HIS119 3.6 35.3 1.0 OG1 B:THR199 4.0 39.4 1.0 OE2 B:GLU106 4.0 41.4 1.0 CG B:HIS96 4.0 33.6 1.0 CG B:HIS94 4.0 42.1 1.0 ND1 B:HIS96 4.1 33.6 1.0 NE2 B:HIS119 4.2 35.3 1.0 CD2 B:HIS119 4.3 35.3 1.0 O2 B:AZM401 4.3 0.0 1.0 ND1 B:HIS94 4.4 42.1 1.0 C1 B:AZM401 4.5 0.0 1.0 CD B:GLU106 4.7 41.4 1.0 O B:HOH911 4.8 27.8 1.0

D.A.Whittington, J.H.Grubb, A.Waheed, G.N.Shah, W.S.Sly, D.W.Christianson. Expression, Assay, and Structure of the Extracellular Domain of Murine Carbonic Anhydrase Xiv: Implications For Selective Inhibition of Membrane-Associated Isozymes. J.Biol.Chem. V. 279 7223 2004.
ISSN: ISSN 0021-9258
PubMed: 14660577
DOI: 10.1074/JBC.M310809200