Chlorine in PDB 8c2f: Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5

The structure of Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5, PDB code: 8c2f was solved by M.C.M.Van Den Oetelaar, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.14 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.76, 112.156, 62.97, 90, 90, 90
R / Rfree (%)	20.1 / 26.7

The structure of Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5 (pdb code 8c2f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5, PDB code: 8c2f:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:22.7 occ:1.00 CD A:LYS87 3.6 30.1 1.0 CA A:TYR84 3.9 8.3 1.0 O A:GLU83 4.0 8.0 1.0 N A:TYR84 4.0 8.2 1.0 C A:GLU83 4.0 8.8 1.0 CB A:LYS87 4.1 17.5 1.0 CD1 A:TYR84 4.2 8.4 1.0 CB A:GLU83 4.2 10.9 1.0 CB A:TYR84 4.2 8.1 1.0 CG A:LYS87 4.4 22.9 1.0 CG A:TYR84 4.7 8.3 1.0 CE A:LYS87 4.8 34.2 1.0 CA A:GLU83 4.8 10.0 1.0

Chlorine binding site 2 out of 3 in the Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:51.9 occ:1.00 NZ A:LYS124 3.3 11.0 1.0 CE A:LYS124 3.9 10.2 1.0 OG A:SER149 3.9 16.7 1.0 OE1 A:GLU153 4.0 31.3 1.0 CD A:LYS124 4.1 9.3 1.0 CA A:ALA150 4.1 7.7 1.0 N A:ALA150 4.3 8.2 1.0 CB A:ALA150 4.3 7.6 1.0 CD2 A:LEU121 4.4 6.2 1.0 C A:SER149 4.6 9.7 1.0 O A:SER149 4.7 9.0 1.0 CB A:SER149 4.8 12.5 1.0

Chlorine binding site 3 out of 3 in the Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 3MHR-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:43.1 occ:1.00 O A:HOH444 2.4 27.4 1.0 O A:HOH447 2.5 7.1 1.0 N A:GLU20 3.4 10.0 1.0 N A:TYR19 3.4 10.0 1.0 CB A:GLU20 3.7 16.9 1.0 C A:ARG18 3.9 10.5 1.0 CA A:ARG18 4.0 12.6 1.0 CA A:GLU20 4.1 12.4 1.0 CA A:TYR19 4.3 10.2 1.0 C A:TYR19 4.3 9.4 1.0 O A:GLU17 4.4 14.8 1.0 CB A:TYR19 4.6 10.9 1.0 O A:ARG18 4.8 8.5 1.0 CB A:ARG18 4.8 14.3 1.0 N A:ASP21 4.9 9.1 1.0 CD A:ARG18 4.9 17.3 1.0 OE1 A:GLU20 5.0 36.4 1.0

R.Gabizon, B.Tivon, R.N.Reddi, M.C.M.Van Den Oetelaar, H.Amartely, P.J.Cossar, C.Ottmann, N.London. A Simple Method For Developing Lysine Targeted Covalent Protein Reagents Nat Commun 2023.
ISSN: ESSN 2041-1723