Chlorine in PDB 5dq9: Structure of S55-3 Fab in Complex with Lipid A

The structure of Structure of S55-3 Fab in Complex with Lipid A, PDB code: 5dq9 was solved by O.Haji-Ghassemi, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	338.121, 52.865, 75.391, 90.00, 100.95, 90.00
R / Rfree (%)	21.2 / 24.5

The binding sites of Chlorine atom in the Structure of S55-3 Fab in Complex with Lipid A (pdb code 5dq9). 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 S55-3 Fab in Complex with Lipid A, PDB code: 5dq9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of S55-3 Fab in Complex with Lipid A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of S55-3 Fab in Complex with Lipid A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:23.7 occ:0.50 O C:HOH434 3.0 21.5 1.0 OH C:TYR59 3.1 22.3 1.0 CB C:ALA57 3.9 22.9 1.0 CE2 C:TYR59 3.9 22.6 1.0 CZ C:TYR59 4.0 22.6 1.0 O C:ILE69 4.5 24.3 1.0 CG2 C:THR68 4.5 23.8 1.0 O C:HOH444 4.7 25.6 1.0

Chlorine binding site 2 out of 2 in the Structure of S55-3 Fab in Complex with Lipid A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of S55-3 Fab in Complex with Lipid A within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:26.4 occ:1.00 O H:HOH452 3.0 38.3 1.0 O H:HOH429 3.1 33.3 1.0 N L:PHE98 3.3 20.5 1.0 N H:TRP47 3.4 26.1 1.0 CA H:GLU46 3.7 26.1 1.0 CA L:THR97 3.7 23.0 1.0 CD1 L:PHE98 3.9 22.9 1.0 C L:THR97 4.1 21.0 1.0 C H:GLU46 4.1 24.6 1.0 O H:LEU45 4.1 25.4 1.0 CB H:TRP47 4.1 24.4 1.0 CB L:PHE98 4.2 20.3 1.0 O L:HOH332 4.2 33.7 1.0 CG H:GLU46 4.2 33.3 1.0 O L:ARG96 4.3 28.9 1.0 CA L:PHE98 4.3 19.9 1.0 CA H:TRP47 4.3 25.1 1.0 CB L:THR97 4.4 24.0 1.0 O L:PHE98 4.5 20.7 1.0 CB H:GLU46 4.5 29.3 1.0 CG L:PHE98 4.5 21.0 1.0 CG2 L:THR97 4.6 23.9 1.0 O H:TRP47 4.7 22.1 1.0 N H:GLU46 4.7 26.1 1.0 C H:LEU45 4.8 26.7 1.0 N L:THR97 4.8 24.5 1.0 C L:PHE98 4.9 21.1 1.0 CE1 L:PHE98 4.9 24.1 1.0 C L:ARG96 5.0 27.6 1.0

O.Haji-Ghassemi, S.Muller-Loennies, T.Rodriguez, L.Brade, P.Kosma, H.Brade, S.V.Evans. Lipid A-Antibody Structures Reveal A Widely-Utilized Pocket Specific For Negatively Charged Groups Derived From From Unrelated V-Genes J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X