Chlorine in PDB 5w6s: Crystal Structure of Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen

The structure of Crystal Structure of Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen, PDB code: 5w6s was solved by M.Plattner, M.M.Shneider, P.G.Leiman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.50 / 2.26
Space group	P 43 3 2
Cell size a, b, c (Å), α, β, γ (°)	185.227, 185.227, 185.227, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 16.4

The structure of Crystal Structure of Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen also contains other interesting chemical elements:

Potassium	(K)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen (pdb code 5w6s). 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 Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen, PDB code: 5w6s:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen


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 Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1021 b:67.2 occ:1.00 N A:SER712 3.5 43.0 1.0 OG A:SER712 3.6 52.3 1.0 CL A:CL1022 3.9 65.5 1.0 O A:HOH1475 4.0 64.0 1.0 CA A:PRO711 4.1 43.6 1.0 CB A:SER712 4.1 47.4 1.0 C A:PRO711 4.3 42.0 1.0 CB A:PRO711 4.4 42.6 1.0 CA A:SER712 4.5 45.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen


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 Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1022 b:65.5 occ:1.00 NE2 A:GLN835 2.8 56.7 1.0 OG A:SER713 3.3 40.4 1.0 N A:SER713 3.4 42.8 1.0 CB A:SER713 3.4 38.6 1.0 CB A:PRO711 3.7 42.6 1.0 CD A:GLN835 3.8 58.1 1.0 OG A:SER712 3.8 52.3 1.0 CL A:CL1021 3.9 67.2 1.0 N A:SER712 4.0 43.0 1.0 CA A:SER713 4.0 40.1 1.0 CG A:GLN835 4.2 52.8 1.0 C A:PRO711 4.4 42.0 1.0 C A:SER712 4.4 43.4 1.0 CA A:PRO711 4.5 43.6 1.0 CA A:SER712 4.6 45.5 1.0 OE1 A:GLN835 4.8 59.0 1.0 CB A:SER712 4.8 47.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen


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 Bacteriophage CBA120 Tailspike Protein 2 Enzymatically Active Domain (TSP2DN, ORF211) Complex with Escherichia Coli O157-Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1023 b:71.5 occ:1.00 NE2 A:HIS268 2.6 72.7 1.0 CE1 A:HIS268 3.4 73.2 1.0 CD2 A:HIS268 3.6 70.9 1.0 NE2 A:GLN289 3.7 52.5 1.0 N A:GLY293 3.8 60.1 1.0 CA A:GLY293 4.1 60.6 1.0 NZ A:LYS288 4.1 66.7 1.0 ND1 A:HIS268 4.6 72.9 1.0 CD A:GLN289 4.7 52.3 1.0 OE1 A:GLN289 4.7 54.1 1.0 CG A:HIS268 4.7 70.8 1.0 C A:ALA292 4.8 60.2 1.0

M.Plattner, M.M.Shneider, N.P.Arbatsky, A.S.Shashkov, A.O.Chizhov, S.Nazarov, N.S.Prokhorov, N.M.I.Taylor, S.A.Buth, M.Gambino, Y.E.Gencay, L.Brondsted, E.M.Kutter, Y.A.Knirel, P.G.Leiman. Structure and Function of the Branched Receptor-Binding Complex of Bacteriophage CBA120. J.Mol.Biol. V. 431 3718 2019.
ISSN: ESSN 1089-8638
PubMed: 31325442
DOI: 10.1016/J.JMB.2019.07.022