Zinc in PDB 4qhh: Crystal Structure of Methanocaldococcus Jannaschii Tetrameric Selecase

The structure of Crystal Structure of Methanocaldococcus Jannaschii Tetrameric Selecase, PDB code: 4qhh was solved by M.Lopez-Pelegrin, N.Cerda-Costa, A.Cintas-Pedrola, F.Herranz-Trillo, P.Bernado, J.R.Peinado, J.L.Arolas, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.30 / 3.00
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.220, 102.220, 59.430, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 25.7

The structure of Crystal Structure of Methanocaldococcus Jannaschii Tetrameric Selecase also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Methanocaldococcus Jannaschii Tetrameric Selecase (pdb code 4qhh). 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 Structure of Methanocaldococcus Jannaschii Tetrameric Selecase, PDB code: 4qhh:

Zinc binding site 1 out of 1 in the Crystal Structure of Methanocaldococcus Jannaschii Tetrameric Selecase


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 Methanocaldococcus Jannaschii Tetrameric Selecase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:0.1 occ:1.00 O3 A:GOL206 2.5 0.2 0.5 O2 A:GOL206 2.5 0.1 0.5 NE2 A:HIS73 2.7 91.4 1.0 CE1 A:HIS73 2.9 91.6 1.0 NE2 A:HIS69 2.9 88.0 1.0 CE1 A:HIS69 3.1 87.2 1.0 C2 A:GOL206 3.1 0.3 0.5 C3 A:GOL206 3.1 0.4 0.5 C1 A:GOL206 3.3 0.9 0.5 O1 A:GOL204 3.4 0.5 1.0 O1 A:GOL206 3.5 0.8 0.5 CD2 A:HIS73 3.9 92.8 1.0 ND1 A:HIS73 4.1 93.6 1.0 CD2 A:HIS69 4.2 89.5 1.0 ND1 A:HIS69 4.3 89.2 1.0 CG A:HIS73 4.6 91.6 1.0 C1 A:GOL204 4.7 0.6 1.0 CG A:HIS69 4.9 88.3 1.0

M.Lopez-Pelegrin, N.Cerda-Costa, A.Cintas-Pedrola, F.Herranz-Trillo, P.Bernado, J.R.Peinado, J.L.Arolas, F.X.Gomis-Ruth. Multiple Stable Conformations Account For Reversible Concentration-Dependent Oligomerization and Autoinhibition of A Metamorphic Metallopeptidase Angew.Chem.Int.Ed.Engl. V. 53 10624 2014.
ISSN: ISSN 1433-7851
PubMed: 25159620
DOI: 10.1002/ANIE.201405727