Zinc in PDB 4bs9: Structure of the Heterocyclase Trud

The structure of Structure of the Heterocyclase Trud, PDB code: 4bs9 was solved by J.Koehnke, A.F.Bent, D.Zollman, K.Smith, W.E.Houssen, X.Zhu, G.Mann, T.Lebl, R.Scharff, S.Shirran, C.H.Botting, M.Jaspars, U.Schwarz-Linek, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.43 / 2.90
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	138.270, 138.270, 280.390, 90.00, 90.00, 90.00
R / Rfree (%)	18.492 / 23.662

The binding sites of Zinc atom in the Structure of the Heterocyclase Trud (pdb code 4bs9). 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 Structure of the Heterocyclase Trud, PDB code: 4bs9:

Zinc binding site 1 out of 1 in the Structure of the Heterocyclase Trud


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Heterocyclase Trud within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1782 b:54.4 occ:1.00 SG A:CYS209 2.4 64.3 1.0 SG A:CYS318 2.4 62.6 1.0 SG A:CYS212 2.4 64.0 1.0 SG A:CYS321 2.4 65.6 1.0 CB A:CYS318 3.1 60.5 1.0 CB A:CYS209 3.3 60.4 1.0 CB A:CYS321 3.4 66.5 1.0 N A:CYS209 3.6 61.6 1.0 N A:CYS212 3.7 60.4 1.0 N A:CYS321 3.7 63.9 1.0 CB A:CYS212 3.8 62.7 1.0 CA A:CYS209 3.9 59.6 1.0 CA A:CYS321 4.1 65.5 1.0 CA A:CYS212 4.1 61.5 1.0 C A:CYS209 4.5 56.8 1.0 C A:HIS211 4.5 60.9 1.0 O A:CYS209 4.5 54.3 1.0 CA A:CYS318 4.5 57.7 1.0 CB A:HIS211 4.6 57.5 1.0 C A:CYS321 4.6 64.8 1.0 C A:GLY208 4.7 61.1 1.0 CB A:THR320 4.8 61.4 1.0 C A:THR320 4.8 64.4 1.0 CA A:HIS211 4.9 58.6 1.0 N A:GLY322 5.0 63.9 1.0

J.Koehnke, A.F.Bent, D.Zollman, K.Smith, W.E.Houssen, X.Zhu, G.Mann, T.Lebl, R.Scharff, S.Shirran, C.H.Botting, M.Jaspars, U.Schwarz-Linek, J.H.Naismith. The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase That Operates with A Defined Order of Reaction. Angew.Chem.Int.Ed.Engl. V. 52 13991 2013.
ISSN: ISSN 1433-7851
PubMed: 24214017
DOI: 10.1002/ANIE.201306302