Zinc in PDB 3w6h: Crystal Structure of 19F Probe-Labeled Hcai in Complex with Acetazolamide

All present enzymatic activity of Crystal Structure of 19F Probe-Labeled Hcai in Complex with Acetazolamide:
4.2.1.1;

The structure of Crystal Structure of 19F Probe-Labeled Hcai in Complex with Acetazolamide, PDB code: 3w6h was solved by Y.Takaoka, Y.Kioi, A.Morito, J.Otani, K.Arita, E.Ashihara, M.Ariyoshi, H.Tochio, M.Shirakawa, I.Hamachi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.21 / 2.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.039, 65.280, 120.485, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 28.3

The structure of Crystal Structure of 19F Probe-Labeled Hcai in Complex with Acetazolamide also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

The binding sites of Zinc atom in the Crystal Structure of 19F Probe-Labeled Hcai in Complex with Acetazolamide (pdb code 3w6h). 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 19F Probe-Labeled Hcai in Complex with Acetazolamide, PDB code: 3w6h:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 19F Probe-Labeled Hcai 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 19F Probe-Labeled Hcai in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:21.3 occ:1.00 NE2 A:HIS94 2.1 22.3 1.0 NE2 A:HIS96 2.2 26.1 1.0 N1 A:AZM303 2.2 23.7 1.0 ND1 A:HIS119 2.2 27.2 1.0 O2 A:AZM303 2.6 20.4 1.0 CD2 A:HIS96 2.8 25.4 1.0 CE1 A:HIS94 3.0 23.6 1.0 CE1 A:HIS119 3.1 25.3 1.0 CD2 A:HIS94 3.2 25.1 1.0 CG A:HIS119 3.2 22.9 1.0 S1 A:AZM303 3.3 27.5 1.0 CE1 A:HIS96 3.4 32.9 1.0 CB A:HIS119 3.6 20.3 1.0 OG1 A:THR199 3.8 39.7 1.0 CG A:HIS96 4.0 25.9 1.0 OE2 A:GLU106 4.1 24.8 1.0 ND1 A:HIS94 4.1 27.0 1.0 CG A:HIS94 4.3 25.6 1.0 NE2 A:HIS119 4.3 30.2 1.0 O1 A:AZM303 4.3 31.1 1.0 ND1 A:HIS96 4.3 33.4 1.0 CD2 A:HIS119 4.3 30.2 1.0 C1 A:AZM303 4.4 32.5 1.0 CD A:GLU106 4.8 25.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 19F Probe-Labeled Hcai 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 19F Probe-Labeled Hcai in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:27.4 occ:1.00 NE2 B:HIS94 2.0 24.2 1.0 NE2 B:HIS96 2.2 26.6 1.0 ND1 B:HIS119 2.3 26.5 1.0 O2 B:AZM303 2.5 27.8 1.0 N1 B:AZM303 2.7 34.5 1.0 CD2 B:HIS96 2.8 27.4 1.0 CE1 B:HIS94 2.9 25.0 1.0 CD2 B:HIS94 3.1 26.2 1.0 CE1 B:HIS119 3.2 25.8 1.0 CG B:HIS119 3.3 24.3 1.0 CE1 B:HIS96 3.4 33.6 1.0 S1 B:AZM303 3.4 43.1 1.0 CB B:HIS119 3.6 19.8 1.0 OG1 B:THR199 3.9 39.6 1.0 OE2 B:GLU106 4.0 24.7 1.0 ND1 B:HIS94 4.1 28.2 1.0 CG B:HIS96 4.1 26.0 1.0 CG B:HIS94 4.2 26.1 1.0 O1 B:AZM303 4.3 44.8 1.0 NE2 B:HIS119 4.3 32.0 1.0 ND1 B:HIS96 4.3 33.2 1.0 C1 B:AZM303 4.4 40.4 1.0 CD2 B:HIS119 4.4 30.8 1.0 S2 B:AZM303 4.7 53.5 1.0 CD B:GLU106 4.8 26.8 1.0

Y.Takaoka, Y.Kioi, A.Morito, J.Otani, K.Arita, E.Ashihara, M.Ariyoshi, H.Tochio, M.Shirakawa, I.Hamachi. Quantitative Comparison of Protein Dynamics in Live Cells and in Vitro By in-Cell 19F-uc(Nmr) To Be Published.