Chlorine in PDB 6mjp: Lptb(E163Q)Fgc From Vibrio Cholerae

The structure of Lptb(E163Q)Fgc From Vibrio Cholerae, PDB code: 6mjp was solved by T.W.Owens, D.Kahne, A.C.Kruse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.27 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.354, 80.729, 202.992, 90.00, 112.18, 90.00
R / Rfree (%)	24.2 / 29.2

The structure of Lptb(E163Q)Fgc From Vibrio Cholerae also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Lptb(E163Q)Fgc From Vibrio Cholerae (pdb code 6mjp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Lptb(E163Q)Fgc From Vibrio Cholerae, PDB code: 6mjp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Lptb(E163Q)Fgc From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lptb(E163Q)Fgc From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:85.8 occ:1.00 N A:THR43 3.1 74.2 1.0 OG1 A:THR44 3.3 87.7 1.0 C A:GLY41 3.3 69.7 1.0 N A:THR44 3.4 80.3 1.0 CA A:GLY41 3.4 72.6 1.0 CB A:THR43 3.5 77.7 1.0 N A:GLY41 3.5 79.7 1.0 N A:LYS42 3.7 77.6 1.0 O A:GLY41 3.7 68.5 1.0 CA A:THR43 3.7 74.2 1.0 OG1 A:THR43 3.9 72.4 1.0 C A:GLY39 3.9 93.1 1.0 CA A:GLY39 4.0 83.5 1.0 O A:GLY39 4.0 96.2 1.0 C A:THR43 4.1 73.0 1.0 C A:LYS42 4.1 76.2 1.0 CB A:THR44 4.2 84.0 1.0 N A:ALA40 4.4 97.3 1.0 CA A:THR44 4.4 80.7 1.0 CA A:LYS42 4.5 74.7 1.0 C A:ALA40 4.5 90.4 1.0 N A:GLY39 4.7 80.4 1.0 CG2 A:THR43 4.7 72.8 1.0 CG A:LYS42 4.8 75.9 1.0

Chlorine binding site 2 out of 4 in the Lptb(E163Q)Fgc From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lptb(E163Q)Fgc From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:0.3 occ:1.00 CD1 A:ILE179 3.6 0.1 1.0 O A:HOH412 3.6 83.9 1.0 CG A:HIS182 4.2 74.7 1.0 ND1 A:HIS182 4.4 79.4 1.0 O A:GLU124 4.4 84.8 1.0 CD2 A:HIS182 4.5 71.2 1.0 CB A:HIS182 4.5 72.8 1.0 CD2 A:HIS126 4.6 99.8 1.0 CE1 A:HIS182 4.7 78.3 1.0 NE2 A:HIS182 4.8 74.3 1.0 NE2 A:HIS126 4.8 0.6 1.0 CD1 A:PHE125 5.0 86.7 1.0

Chlorine binding site 3 out of 4 in the Lptb(E163Q)Fgc From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lptb(E163Q)Fgc From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:0.6 occ:1.00 N A:VAL197 3.3 77.6 1.0 CG A:ARG198 3.5 90.9 1.0 N A:ARG198 3.6 66.5 1.0 CB A:VAL197 3.9 77.0 1.0 CA A:VAL197 4.0 74.8 1.0 CA A:ASN196 4.0 59.3 1.0 C A:ASN196 4.0 70.4 1.0 O B:HOH406 4.1 57.3 1.0 CD A:ARG198 4.1 0.6 1.0 CG2 A:VAL197 4.2 70.6 1.0 NE A:ARG198 4.2 0.1 1.0 O A:HIS195 4.2 69.0 1.0 C A:VAL197 4.3 74.8 1.0 CB A:ARG198 4.4 83.6 1.0 CE1 A:PHE239 4.4 0.5 1.0 CA A:CA304 4.5 98.7 1.0 CZ A:PHE239 4.5 0.2 1.0 CG B:PRO170 4.5 41.4 1.0 CA A:ARG198 4.6 78.5 1.0 CB A:ASN196 4.9 62.9 1.0 OE2 A:GLU199 4.9 87.0 1.0

Chlorine binding site 4 out of 4 in the Lptb(E163Q)Fgc From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lptb(E163Q)Fgc From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:96.4 occ:1.00 N B:GLY41 3.1 76.5 1.0 OG1 B:THR44 3.3 65.2 1.0 N B:THR43 3.4 70.9 1.0 CA B:GLY39 3.4 73.4 1.0 CA B:GLY41 3.5 73.9 1.0 C B:GLY39 3.5 78.2 1.0 C B:GLY41 3.6 75.0 1.0 N B:THR44 3.6 76.0 1.0 CB B:THR43 3.7 72.3 1.0 N B:LYS42 3.7 74.1 1.0 N B:ALA40 3.9 82.8 1.0 O B:GLY39 3.9 82.2 1.0 CA B:THR43 3.9 72.0 1.0 O B:GLY41 4.1 76.7 1.0 CB B:THR44 4.2 70.6 1.0 N B:GLY39 4.3 76.8 1.0 C B:ALA40 4.3 82.2 1.0 C B:THR43 4.3 76.4 1.0 OG1 B:THR43 4.3 77.4 1.0 C B:LYS42 4.3 66.7 1.0 CA B:THR44 4.6 75.5 1.0 CG1 B:VAL18 4.6 98.8 1.0 CA B:ALA40 4.6 85.4 1.0 CA B:LYS42 4.6 70.4 1.0 CG2 B:THR43 4.8 62.4 1.0 CG B:LYS42 4.9 56.6 1.0

T.W.Owens, R.J.Taylor, K.S.Pahil, B.R.Bertani, N.Ruiz, A.C.Kruse, D.Kahne. Structural Basis of Unidirectional Export of Lipopolysaccharide to the Cell Surface. Nature V. 567 550 2019.
ISSN: ESSN 1476-4687
PubMed: 30894747
DOI: 10.1038/S41586-019-1039-0