Zinc in PDB 3vrk: Crystal Structutre of Thiobacillus Thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate Complex

The structure of Crystal Structutre of Thiobacillus Thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate Complex, PDB code: 3vrk was solved by Y.Katayama, K.Noguchi, T.Ogawa, A.Ohtaki, M.Odaka, M.Yohda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.33
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.307, 90.307, 105.133, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 21.2

The structure of Crystal Structutre of Thiobacillus Thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structutre of Thiobacillus Thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate Complex (pdb code 3vrk). 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 Crystal Structutre of Thiobacillus Thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate Complex, PDB code: 3vrk:

Zinc binding site 1 out of 1 in the Crystal Structutre of Thiobacillus Thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structutre of Thiobacillus Thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:6.2 occ:1.00 NE2 A:HIS97 2.0 6.6 1.0 O A:HOH605 2.1 7.5 1.0 SG A:CYS44 2.3 7.0 1.0 SG A:CYS100 2.3 7.1 1.0 CE1 A:HIS97 3.0 7.0 1.0 CD2 A:HIS97 3.0 6.6 1.0 CB A:CYS44 3.2 7.1 1.0 CB A:CYS100 3.2 8.0 1.0 CA A:CYS100 3.6 6.4 1.0 CB A:ASP46 3.8 7.9 1.0 O A:HOH521 3.9 7.8 1.0 N A:GLY101 3.9 7.4 1.0 S A:SCN303 3.9 11.8 1.0 OD2 A:ASP46 4.0 7.6 1.0 C A:SCN303 4.0 9.3 1.0 ND1 A:HIS97 4.1 6.6 1.0 CG A:HIS97 4.2 7.1 1.0 C A:CYS100 4.2 7.0 1.0 N A:SCN303 4.4 12.2 1.0 N A:GLY69 4.4 6.6 1.0 CA A:GLY69 4.4 7.0 1.0 CG A:ASP46 4.4 6.1 1.0 CA A:CYS44 4.7 6.1 1.0 N A:ASP46 4.7 5.4 1.0 N A:CYS100 4.8 6.8 1.0 CA A:ASP46 4.8 6.5 1.0

T.Ogawa, K.Noguchi, M.Saito, Y.Nagahata, H.Kato, A.Ohtaki, H.Nakayama, N.Dohmae, Y.Matsushita, M.Odaka, M.Yohda, H.Nyunoya, Y.Katayama. Carbonyl Sulfide Hydrolase From Thiobacillus Thioparus Strain THI115 Is One of the Beta-Carbonic Anhydrase Family Enzymes J.Am.Chem.Soc. V. 135 3818 2013.
ISSN: ISSN 0002-7863
PubMed: 23406161
DOI: 10.1021/JA307735E