Chlorine in PDB 8c2e: Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 4IEA-5

The structure of Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 4IEA-5, PDB code: 8c2e 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)	55.92 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.513, 111.724, 63.077, 90, 90, 90
R / Rfree (%)	17.5 / 22.1

The structure of Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 4IEA-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 4IEA-5 (pdb code 8c2e). 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 4IEA-5, PDB code: 8c2e:
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 4IEA-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 4IEA-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:27.9 occ:1.00 CD A:LYS87 3.8 31.4 1.0 CA A:TYR84 4.0 10.3 1.0 O A:GLU83 4.0 11.3 1.0 CD1 A:TYR84 4.1 10.5 1.0 CB A:LYS87 4.1 19.6 1.0 C A:GLU83 4.1 11.0 1.0 N A:TYR84 4.1 9.8 1.0 CB A:TYR84 4.3 10.0 1.0 CB A:GLU83 4.4 13.1 1.0 CG A:LYS87 4.5 25.5 1.0 CG A:TYR84 4.7 10.7 1.0 CA A:GLU83 4.9 12.2 1.0 NZ A:LYS87 4.9 38.0 1.0 CE A:LYS87 5.0 35.4 1.0

Chlorine binding site 2 out of 3 in the Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 4IEA-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 4IEA-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:56.1 occ:1.00 O A:HOH427 2.8 20.7 1.0 O A:HOH472 3.2 34.8 1.0 OE1 A:GLU153 3.3 44.2 1.0 OG A:SER149 3.6 27.3 1.0 CA A:ALA150 3.7 11.6 1.0 NZ A:LYS124 3.8 22.0 1.0 N A:ALA150 3.8 12.7 1.0 CB A:ALA150 4.0 11.9 1.0 CE A:LYS124 4.1 18.1 1.0 C A:SER149 4.1 15.0 1.0 CD A:LYS124 4.2 14.3 1.0 O A:SER149 4.2 13.4 1.0 CD A:GLU153 4.4 39.8 1.0 CD2 A:LEU121 4.5 10.8 1.0 CB A:SER149 4.6 19.7 1.0 O A:SER146 4.9 8.5 1.0 OE2 A:GLU153 4.9 42.8 1.0 CA A:SER149 4.9 16.8 1.0

Chlorine binding site 3 out of 3 in the Structure of 14-3-3 Sigma Delta C with Electrophilic Peptide 4IEA-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 4IEA-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:55.7 occ:1.00 O A:HOH492 2.9 14.1 1.0 N A:GLU20 3.2 8.4 1.0 N A:TYR19 3.4 9.3 1.0 CB A:GLU20 3.6 10.8 1.0 C A:ARG18 4.0 9.9 1.0 CA A:GLU20 4.0 9.6 1.0 CA A:TYR19 4.1 9.8 1.0 C A:TYR19 4.1 8.9 1.0 CA A:ARG18 4.2 11.9 1.0 CB A:TYR19 4.3 10.8 1.0 O A:GLU17 4.4 13.9 1.0 O A:ARG18 4.9 7.6 1.0 CG A:GLU20 4.9 13.0 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