Chlorine in PDB 6a02: Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution

The structure of Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution, PDB code: 6a02 was solved by B.Ku, H.S.Lee, S.J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.05 / 1.40
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.831, 92.459, 95.487, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.3

The structure of Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution (pdb code 6a02). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution, PDB code: 6a02:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:29.8 occ:1.00 O A:HOH432 2.7 25.6 1.0 O A:HOH475 2.8 33.2 1.0 N A:LYS51 3.3 12.9 1.0 CA A:ARG48 3.6 12.4 1.0 CB A:ARG48 3.6 14.5 1.0 C A:ARG48 3.7 14.5 1.0 N A:GLN50 3.7 13.7 1.0 CB A:GLN50 3.8 19.0 1.0 CB A:LYS51 3.9 13.9 1.0 O A:ARG48 4.0 12.6 1.0 CA A:GLN50 4.0 13.6 1.0 C A:GLN50 4.0 12.6 1.0 CG A:ARG48 4.1 17.8 1.0 CA A:LYS51 4.2 13.7 1.0 N A:THR49 4.3 13.3 1.0 CG A:GLN50 4.7 22.5 1.0 C A:THR49 4.7 14.6 1.0 OE1 A:GLN50 4.9 34.6 1.0 N A:ARG48 5.0 12.2 1.0 CD A:ARG48 5.0 21.1 1.0

Chlorine binding site 2 out of 4 in the Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:41.5 occ:1.00 N A:GLU83 3.4 27.7 1.0 CA A:VAL82 3.9 18.2 1.0 CB A:GLU83 4.0 26.6 1.0 O A:HOH332 4.1 29.1 1.0 O A:PRO81 4.1 23.9 1.0 C A:VAL82 4.1 21.0 1.0 CG1 A:VAL82 4.2 26.2 1.0 CA A:GLU83 4.3 25.6 1.0 CB A:VAL82 4.5 21.9 1.0 N A:VAL82 4.9 17.1 1.0 CG2 A:VAL82 4.9 23.9 1.0 C A:PRO81 5.0 20.7 1.0

Chlorine binding site 3 out of 4 in the Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:52.4 occ:1.00 O A:HOH451 3.7 30.4 1.0 OD1 A:ASN71 4.2 20.5 1.0 O A:HOH352 4.3 30.9 1.0 CG2 A:VAL74 4.3 14.5 1.0 CB A:TRP70 4.3 13.4 1.0 O A:HOH445 4.4 18.9 1.0 O A:HOH339 4.4 30.1 1.0 CD2 A:LEU145 4.5 14.8 1.0 N A:ASN71 4.6 12.6 1.0 C A:TRP70 4.6 13.3 1.0 CD2 A:HIS86 4.7 25.8 1.0 O A:TRP70 4.8 12.6 1.0 CG A:ASN71 4.8 18.2 1.0 CA A:ASN71 4.8 13.3 1.0

Chlorine binding site 4 out of 4 in the Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Salmonella Typhi Yfdx in the F222 Space Group at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:48.6 occ:1.00 OE2 A:GLU161 3.6 33.7 1.0 OG A:SER157 3.8 16.7 0.5 OE1 A:GLU161 3.9 27.0 1.0 CD2 A:LEU158 4.0 14.5 1.0 CD A:GLU161 4.1 25.8 1.0 CB A:SER157 4.3 13.3 1.0 CG A:LEU158 4.4 10.7 1.0 CG2 A:THR154 4.7 13.4 1.0 N A:LEU158 4.8 10.9 1.0 C A:SER157 4.9 13.5 1.0

H.S.Lee, S.Lee, J.S.Kim, H.R.Lee, H.C.Shin, M.S.Lee, K.S.Jin, C.H.Kim, B.Ku, C.M.Ryu, S.J.Kim. Structural and Physiological Exploration Ofsalmonellatyphi Yfdx Uncovers Its Dual Function in Bacterial Antibiotic Stress and Virulence. Front Microbiol V. 9 3329 2018.
ISSN: ESSN 1664-302X
PubMed: 30692978
DOI: 10.3389/FMICB.2018.03329