Chlorine in PDB 8ts5: Structure of the Apo FABS1C_C1

The structure of Structure of the Apo FABS1C_C1, PDB code: 8ts5 was solved by A.U.Singer, H.A.Bruce, L.L.Blazer, J.J.Adams, F.Sicheri, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.56 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.688, 73.792, 174.202, 90, 96.37, 90
R / Rfree (%)	22 / 26.4

The structure of Structure of the Apo FABS1C_C1 also contains other interesting chemical elements:

Sodium

(Na)

8 atoms

The binding sites of Chlorine atom in the Structure of the Apo FABS1C_C1 (pdb code 8ts5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Apo FABS1C_C1, PDB code: 8ts5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Apo FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Apo FABS1C_C1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl317 b:46.2 occ:1.00 O A:HOH540 2.8 38.2 1.0 N A:SER151 3.4 34.6 1.0 O A:ALA149 3.5 24.1 1.0 C3 A:PEG304 3.6 39.8 1.0 O A:HOH526 3.7 33.7 1.0 O4 A:PEG304 3.8 30.9 1.0 CE1 G:PHE136 3.9 24.3 1.0 O G:HOH447 4.0 33.8 1.0 CB A:SER151 4.0 34.8 1.0 CD1 G:PHE136 4.0 19.9 1.0 O G:ILE135 4.0 23.3 1.0 CA A:PRO150 4.0 27.2 1.0 C A:PRO150 4.1 33.8 1.0 CA A:SER151 4.3 37.7 1.0 C4 A:PEG304 4.3 33.9 1.0 O G:HOH499 4.4 23.5 1.0 C A:ALA149 4.6 25.1 1.0 CZ G:PHE136 4.7 21.3 1.0 O A:ALA161 4.7 23.7 1.0 O2 A:PEG304 4.7 45.3 1.0 N A:PRO150 4.8 25.7 1.0 C1 A:PEG304 4.9 42.1 1.0 CG G:PHE136 5.0 20.7 1.0

Chlorine binding site 2 out of 2 in the Structure of the Apo FABS1C_C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Apo FABS1C_C1 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl312 b:56.1 occ:1.00 N G:THR147 2.9 36.4 1.0 O G:GLN142 3.0 27.7 1.0 O G:HOH520 3.0 30.6 1.0 C G:SER145 3.1 46.2 1.0 O G:SER145 3.2 51.8 1.0 CB G:SER145 3.2 44.7 1.0 CB G:THR147 3.3 32.9 1.0 N G:GLY146 3.4 35.3 1.0 CA G:THR147 3.5 35.5 1.0 CA G:SER145 3.6 37.0 1.0 O G:THR147 3.7 29.7 1.0 CG G:GLN142 3.8 27.6 1.0 C G:GLY146 3.9 40.7 1.0 OG1 G:THR147 3.9 38.6 1.0 C G:THR147 4.0 31.1 1.0 C G:GLN142 4.0 30.2 1.0 N G:SER145 4.0 35.0 1.0 CA G:GLY146 4.1 36.1 1.0 CG2 G:THR147 4.4 31.5 1.0 OG G:SER145 4.5 59.4 1.0 CA G:GLN142 4.6 31.8 1.0 NE2 G:GLN142 4.7 27.3 1.0 CD G:GLN142 4.8 23.3 1.0 CB G:GLN142 4.9 23.3 1.0 O G:LEU143 4.9 37.0 1.0 O G:GLY146 4.9 37.5 1.0

H.A.Bruce, A.U.Singer, E.V.Filippova, L.L.Blazer, J.J.Adams, L.Enderle, M.Ben-David, E.H.Radley, D.Y.L.Mao, V.Pau, S.Orlicky, F.Sicheri, I.Kourinov, S.Atwell, A.A.Kossiakoff, S.S.Sidhu. Engineered Antigen-Binding Fragments For Enhanced Crystallization of Antibody:Antigen Complexes. Protein Sci. E4824 2023.
ISSN: ESSN 1469-896X
PubMed: 37945533
DOI: 10.1002/PRO.4824