Zinc in PDB 3m1w: Carbonic Anhyrdase II Mutant W5CH64C with Closed Disulfide Bond in Complex with Sulfate

All present enzymatic activity of Carbonic Anhyrdase II Mutant W5CH64C with Closed Disulfide Bond in Complex with Sulfate:
4.2.1.1;

The structure of Carbonic Anhyrdase II Mutant W5CH64C with Closed Disulfide Bond in Complex with Sulfate, PDB code: 3m1w was solved by J.Schulze Wischeler, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.38
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.300, 41.500, 72.200, 90.00, 104.40, 90.00
R / Rfree (%)	13.1 / 17.5

The binding sites of Zinc atom in the Carbonic Anhyrdase II Mutant W5CH64C with Closed Disulfide Bond in Complex with Sulfate (pdb code 3m1w). 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 Anhyrdase II Mutant W5CH64C with Closed Disulfide Bond in Complex with Sulfate, PDB code: 3m1w:

Zinc binding site 1 out of 1 in the Carbonic Anhyrdase II Mutant W5CH64C with Closed Disulfide Bond in Complex with Sulfate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhyrdase II Mutant W5CH64C with Closed Disulfide Bond in Complex with Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:9.1 occ:1.00 O2 A:SO4501 1.9 16.3 1.0 NE2 A:HIS94 2.0 7.7 1.0 NE2 A:HIS96 2.0 7.7 1.0 ND1 A:HIS119 2.0 8.5 1.0 S A:SO4501 2.9 21.4 1.0 O4 A:SO4501 2.9 32.6 1.0 CE1 A:HIS119 2.9 8.3 1.0 CD2 A:HIS94 2.9 7.9 1.0 CE1 A:HIS94 2.9 8.2 1.0 CD2 A:HIS96 3.0 7.8 1.0 CE1 A:HIS96 3.1 9.7 1.0 CG A:HIS119 3.1 7.0 1.0 CB A:HIS119 3.6 7.6 1.0 ND1 A:HIS94 3.9 8.8 1.0 O3 A:SO4501 3.9 32.7 1.0 OG1 A:THR199 3.9 8.8 1.0 O1 A:SO4501 3.9 23.6 1.0 OE1 A:GLU106 4.1 8.5 1.0 NE2 A:HIS119 4.1 8.5 1.0 CG A:HIS94 4.1 9.1 1.0 ND1 A:HIS96 4.2 8.8 1.0 CD2 A:HIS119 4.2 8.2 1.0 CG A:HIS96 4.2 8.6 1.0 O A:HOH1132 4.5 35.9 1.0 CD A:GLU106 4.9 8.6 1.0

J.Schulze Wischeler, N.U.Sandner, A.Heine, G.Klebe. Mutational Study on Carbonic Anhydrase II To Be Published.