Chlorine in PDB 2ynq: Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment

The structure of Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment, PDB code: 2ynq was solved by M.Zoltner, P.K.Fyfe, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.782 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	132.890, 110.620, 97.410, 90.00, 103.34, 90.00
R / Rfree (%)	18.62 / 22.15

The structure of Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment (pdb code 2ynq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment, PDB code: 2ynq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1394 b:60.2 occ:1.00 NH2 A:ARG349 2.7 45.9 1.0 O A:HOH2044 2.9 51.7 1.0 CZ A:ARG349 3.8 45.3 1.0 CD A:LYS353 3.8 72.6 1.0 CD1 D:ILE264 3.9 34.2 1.0 NH1 A:ARG349 3.9 41.9 1.0 CG2 D:ILE264 4.0 35.8 1.0 CE A:LYS353 4.1 75.4 1.0 CG A:LYS353 4.4 71.7 1.0 CB D:ILE264 4.5 38.3 1.0 NZ A:LYS353 4.5 75.7 1.0 CG1 D:ILE264 4.8 37.0 1.0 CA D:SER261 4.8 40.7 1.0 NE A:ARG349 5.0 45.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1392 b:65.7 occ:1.00 NH2 B:ARG349 2.5 81.5 1.0 NZ B:LYS353 3.3 1.0 1.0 CZ B:ARG349 3.8 74.5 1.0 CE B:LYS353 4.2 0.1 1.0 NH1 B:ARG349 4.5 76.9 1.0 CD B:LYS353 4.6 95.0 1.0 NE B:ARG349 4.6 68.8 1.0 CD2 B:LEU367 5.0 91.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Geobacillus Thermodenitrificans Essb Extracellular Fragment within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1392 b:44.0 occ:0.50 OG C:SER261 3.0 40.8 1.0 N C:SER261 3.1 35.4 1.0 N C:TYR260 3.5 35.3 1.0 CB C:TYR260 3.8 33.8 1.0 CB C:SER261 3.8 37.6 1.0 CA C:TYR260 3.9 34.5 1.0 C C:TYR260 4.0 35.1 1.0 CA C:SER261 4.1 37.1 1.0 CD2 C:TYR260 4.1 31.6 1.0 C C:LYS259 4.2 36.4 1.0 CG C:TYR260 4.4 31.8 1.0 CG2 C:THR290 4.4 40.2 1.0 O C:ASN258 4.6 36.9 1.0 CA C:LYS259 4.6 37.0 1.0 O C:LYS259 5.0 36.3 1.0

M.Zoltner, D.G.Norman, P.K.Fyfe, H.El Mkami, T.Palmer, W.N.Hunter. The Architecture of Essb, An Integral Membrane Component of the Type VII Secretion System. Structure V. 21 595 2013.
ISSN: ISSN 0969-2126
PubMed: 23499020
DOI: 10.1016/J.STR.2013.02.007