Chlorine in PDB 4y9v: GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide

The structure of GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide, PDB code: 4y9v was solved by S.A.Buth, 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)	45.90 / 0.90
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	92.634, 92.634, 391.478, 90.00, 90.00, 120.00
R / Rfree (%)	9.7 / 10.9

The structure of GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide (pdb code 4y9v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide, PDB code: 4y9v:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl811 b:10.0 occ:0.33 ND2 A:ASN707 3.3 9.1 1.0 O A:HOH2784 3.5 23.4 1.0 CB A:PRO684 3.7 19.3 1.0 CB A:ASN707 4.0 8.2 1.0 CG A:ASN707 4.1 8.3 1.0 CG A:PRO684 4.2 20.4 1.0 O A:HOH2986 5.0 12.4 0.3

Chlorine binding site 2 out of 3 in the GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl813 b:12.6 occ:0.83 CL A:CL813 0.0 12.6 0.8 CL A:CL813 0.6 4.8 0.2 OG A:SER670 3.0 8.0 1.0 N A:SER670 3.2 6.7 1.0 CB A:SER670 3.6 7.9 1.0 CA A:SER670 4.0 6.7 1.0 CA A:ALA669 4.1 7.2 1.0 C A:ALA669 4.2 6.8 1.0 CB A:ALA669 4.3 9.0 1.0 O A:HOH2611 4.6 11.6 0.7

Chlorine binding site 3 out of 3 in the GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of GP54 Tailspike of Acinetobacter Baumannii Bacteriophage AP22 in Complex with A. Baumannii Capsular Saccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl813 b:4.8 occ:0.17 CL A:CL813 0.0 4.8 0.2 CL A:CL813 0.6 12.6 0.8 N A:SER670 3.2 6.7 1.0 OG A:SER670 3.3 8.0 1.0 CA A:ALA669 3.8 7.2 1.0 CB A:SER670 3.9 7.9 1.0 C A:ALA669 4.0 6.8 1.0 CB A:ALA669 4.1 9.0 1.0 CA A:SER670 4.1 6.7 1.0 O A:SER668 5.0 6.2 0.1

S.A.Buth, M.M.Shneider, P.G.Leiman. Structure of Acinetobacter Baumannii Bacteriophage AP22 Polysaccharide Degrading Lyase in Complex with A. Baumannii Capsular Saccharide at 0.9 A Resolution To Be Published.