Chlorine in PDB 4jix: Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin

The structure of Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin, PDB code: 4jix was solved by M.Lopez-Pelegrin, N.Cerda-Costa, F.Martinez-Jimenez, A.Cintas-Pedrola, A.Canals, J.R.Peinado, M.A.Marti-Renom, C.Lopez-Otin, 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)	45.35 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.590, 76.590, 124.310, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 21.3

The structure of Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin (pdb code 4jix). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin, PDB code: 4jix:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin


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 the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:90.0 occ:1.00 OG A:SER94 3.5 51.8 1.0 ND2 A:ASN96 3.7 64.1 1.0 CB A:ASN96 3.9 50.0 1.0 CB A:SER94 4.0 50.9 1.0 CG A:ASN96 4.3 72.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:84.7 occ:1.00 N B:PHE43 3.4 52.5 1.0 N B:LYS44 3.9 58.6 1.0 CA B:SER42 4.0 50.1 1.0 C B:SER42 4.1 54.5 1.0 OG B:SER42 4.2 65.1 1.0 CB B:PHE43 4.2 56.4 1.0 CA B:PHE43 4.2 53.9 1.0 CB B:LYS44 4.4 64.9 1.0 CB B:SER42 4.5 54.7 1.0 C B:PHE43 4.6 60.4 1.0 O B:PHE41 4.8 48.9 1.0 CD1 B:PHE43 4.8 58.2 1.0 CA B:LYS44 4.8 61.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Metallopeptidase Zymogen of Methanocaldococcus Jannaschii Jannalysin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:97.0 occ:1.00 CG B:LYS35 3.5 85.3 1.0 N B:LYS35 3.5 59.9 1.0 CA B:MET34 4.1 57.8 1.0 C B:MET34 4.3 62.8 1.0 NZ B:LYS32 4.3 0.2 1.0 CE B:LYS35 4.3 0.5 1.0 CD B:LYS35 4.4 0.5 1.0 O B:HOH369 4.4 74.9 1.0 CB B:LYS35 4.4 66.8 1.0 N B:GLN36 4.4 59.7 1.0 CA B:LYS35 4.4 60.9 1.0 CG B:GLN36 4.6 70.5 1.0 O B:PRO33 4.7 60.9 1.0 CB B:MET34 4.7 57.8 1.0 C B:LYS35 4.9 64.1 1.0 CD B:GLN36 5.0 96.4 1.0

M.Lopez-Pelegrin, N.Cerda-Costa, F.Martinez-Jimenez, A.Cintas-Pedrola, A.Canals, J.R.Peinado, M.A.Marti-Renom, C.Lopez-Otin, J.L.Arolas, F.X.Gomis-Ruth. A Novel Family of Soluble Minimal Scaffolds Provides Structural Insight Into the Catalytic Domains of Integral Membrane Metallopeptidases J.Biol.Chem. V. 288 21279 2013.
ISSN: ISSN 0021-9258
PubMed: 23733187
DOI: 10.1074/JBC.M113.476580