Chlorine in PDB 4qhi: Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant R36W

The structure of Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant R36W, PDB code: 4qhi 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)	42.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.690, 101.090, 76.470, 90.00, 99.83, 90.00
R / Rfree (%)	22.2 / 24.7

The structure of Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant R36W also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant R36W (pdb code 4qhi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant R36W, PDB code: 4qhi:

Chlorine binding site 1 out of 1 in the Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant R36W


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant R36W within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:83.3 occ:1.00 NZ A:LYS32 3.6 81.4 1.0 CD A:LYS32 4.0 64.8 1.0 CD2 A:LEU34 4.2 45.9 1.0 CD2 A:TYR49 4.2 40.5 1.0 CG A:TYR49 4.3 39.1 1.0 CE2 A:TYR49 4.3 42.1 1.0 CE A:LYS32 4.4 75.6 1.0 O A:HOH355 4.4 59.8 1.0 O A:HOH356 4.4 52.0 1.0 CD1 A:TYR49 4.5 41.7 1.0 CZ A:TYR49 4.5 50.5 1.0 OG A:SER40 4.5 41.7 1.0 CE1 A:TYR49 4.6 44.5 1.0 CB A:TYR49 4.9 35.8 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