Chlorine in PDB 6c5i: Unliganded S25-5 Fab

The structure of Unliganded S25-5 Fab, PDB code: 6c5i was solved by S.V.Evans, O.Haji-Ghassemi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.635, 72.877, 109.015, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.1

The structure of Unliganded S25-5 Fab also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the Unliganded S25-5 Fab (pdb code 6c5i). 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 Unliganded S25-5 Fab, PDB code: 6c5i:

Chlorine binding site 1 out of 1 in the Unliganded S25-5 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Unliganded S25-5 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl402 b:45.6 occ:1.00 O H:HOH665 2.7 56.5 1.0 O H:HOH639 2.9 59.5 1.0 NH2 H:ARG94 3.2 50.4 1.0 O H:HOH637 3.4 35.3 1.0 N H:GLY33 3.4 28.9 1.0 NH1 H:ARG94 3.4 52.4 1.0 O H:HOH591 3.5 32.1 1.0 CZ H:ARG94 3.7 49.8 1.0 CA H:TYR32 4.0 31.3 1.0 C H:TYR32 4.2 32.1 1.0 CA H:GLY33 4.2 28.9 1.0 CZ3 H:TRP52 4.3 30.5 1.0 CG2 H:THR98 4.4 59.2 1.0 O H:THR31 4.4 32.6 1.0 OG1 H:THR98 4.4 63.5 1.0 CD1 H:TYR32 4.4 39.6 1.0 CE3 H:TRP52 4.4 27.7 1.0 CB H:TYR32 4.6 33.7 1.0 NE H:ARG94 4.9 43.2 1.0 NH2 H:ARG96 4.9 32.1 1.0 O H:ARG96 4.9 28.9 1.0

O.Haji-Ghassemi, S.Muller-Loennies, C.L.Brooks, C.R.Mackenzie, N.Caveney, F.Van Petegem, L.Brade, P.Kosma, H.Brade, S.V.Evans. Subtle Changes in the Combining Site of the Chlamydiaceae-Specific Mab S25-23 Increase the Antibody-Carbohydrate Binding Affinity By An Order of Magnitude. Biochemistry V. 58 714 2019.
ISSN: ISSN 1520-4995
PubMed: 30571096
DOI: 10.1021/ACS.BIOCHEM.8B00318