Chlorine in PDB 1zoo: CD11A I-Domain with Bound Magnesium Ion

The structure of CD11A I-Domain with Bound Magnesium Ion, PDB code: 1zoo was solved by D.J.Leahy, A.Qu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 3.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.560, 78.320, 66.280, 90.00, 90.00, 90.00
R / Rfree (%)	27.9 / 26.4

The structure of CD11A I-Domain with Bound Magnesium Ion also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the CD11A I-Domain with Bound Magnesium Ion (pdb code 1zoo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the CD11A I-Domain with Bound Magnesium Ion, PDB code: 1zoo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the CD11A I-Domain with Bound Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CD11A I-Domain with Bound Magnesium Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:10.2 occ:1.00 MG A:MG350 2.5 6.5 1.0 H1 A:HOH602 2.5 0.0 1.0 H A:SER141 2.6 18.0 1.0 OG A:SER141 3.1 7.5 1.0 O A:HOH602 3.2 6.5 1.0 OG A:SER139 3.2 6.7 1.0 CB A:SER139 3.3 6.3 1.0 CB A:SER141 3.3 7.5 1.0 H2 A:HOH602 3.4 0.0 1.0 N A:SER141 3.4 7.1 1.0 H A:MET140 3.6 18.0 1.0 HG1 A:THR206 3.7 18.0 1.0 O A:HOH601 3.7 3.5 1.0 N A:MET140 3.9 6.1 1.0 HG A:SER139 3.9 18.0 1.0 CA A:SER141 4.0 7.2 1.0 OG1 A:THR206 4.0 5.6 1.0 HG A:SER141 4.0 18.0 1.0 H1 A:HOH601 4.1 0.0 1.0 C A:MET140 4.4 7.2 1.0 C A:SER139 4.4 6.4 1.0 O A:LEU204 4.4 5.0 1.0 CA A:SER139 4.5 6.6 1.0 H2 A:HOH601 4.5 0.0 1.0 OD1 A:ASP239 4.5 4.6 1.0 CA A:MET140 4.5 7.4 1.0 CB A:MET140 4.6 7.8 1.0

Chlorine binding site 2 out of 2 in the CD11A I-Domain with Bound Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CD11A I-Domain with Bound Magnesium Ion within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1401 b:15.9 occ:1.00 H B:SER141 2.5 18.0 1.0 MG B:MG1350 2.6 10.5 1.0 H1 B:HOH1601 2.9 0.0 1.0 OG B:SER141 2.9 8.5 1.0 OG B:SER139 3.1 11.0 1.0 CB B:SER139 3.3 10.6 1.0 O B:HOH1601 3.3 6.1 1.0 CB B:SER141 3.3 9.6 1.0 N B:SER141 3.4 11.8 1.0 HG B:SER139 3.5 18.0 1.0 H2 B:HOH1601 3.6 0.0 1.0 H B:MET140 3.6 18.0 1.0 HG1 B:THR206 3.7 18.0 1.0 O B:HOH1602 3.7 8.4 1.0 HG B:SER141 3.8 18.0 1.0 H2 B:HOH1602 3.9 0.0 1.0 N B:MET140 3.9 12.3 1.0 CA B:SER141 4.0 11.0 1.0 OG1 B:THR206 4.0 5.5 1.0 C B:SER139 4.4 11.4 1.0 C B:MET140 4.4 12.2 1.0 CA B:SER139 4.4 10.9 1.0 O B:LEU204 4.4 8.2 1.0 H1 B:HOH1602 4.5 0.0 1.0 OD1 B:ASP239 4.6 7.9 1.0 CA B:MET140 4.6 13.0 1.0 CB B:MET140 4.7 15.1 1.0 H B:LEU142 4.9 18.0 1.0

A.Qu, D.J.Leahy. The Role of the Divalent Cation in the Structure of the I Domain From the CD11A/CD18 Integrin. Structure V. 4 931 1996.
ISSN: ISSN 0969-2126
PubMed: 8805579
DOI: 10.1016/S0969-2126(96)00100-1