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

The structure of CD11A I-Domain with Bound Magnesium Ion, PDB code: 1zop 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)	30.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.160, 78.630, 66.370, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 26.3

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

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the CD11A I-Domain with Bound Magnesium Ion (pdb code 1zop). 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: 1zop:
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 H2 A:HOH779 2.1 0.0 1.0 MN A:MN350 2.5 6.5 1.0 H1 A:HOH2 2.5 0.0 1.0 H A:SER141 2.6 18.0 1.0 O A:HOH779 3.0 16.2 1.0 OG A:SER141 3.1 7.5 1.0 O A:HOH2 3.2 6.5 1.0 H1 A:HOH779 3.2 0.0 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:HOH2 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:HOH1 3.7 3.5 1.0 H2 A:HOH788 3.9 0.0 1.0 H1 A:HOH788 3.9 0.0 1.0 HG A:SER139 3.9 18.0 1.0 N A:MET140 4.0 6.1 1.0 H1 A:HOH876 4.0 0.0 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 O A:HOH788 4.0 7.4 1.0 H1 A:HOH1 4.1 0.0 1.0 H1 A:HOH873 4.3 0.0 1.0 O A:HOH789 4.3 6.7 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 O A:HOH876 4.4 21.3 1.0 CA A:SER139 4.5 6.6 1.0 H2 A:HOH1 4.5 0.0 1.0 CA A:MET140 4.5 7.4 1.0 OD1 A:ASP239 4.5 4.6 1.0 CB A:MET140 4.6 7.8 1.0 H2 A:HOH873 4.6 0.0 1.0 H1 A:HOH789 4.9 0.0 1.0 O A:HOH873 5.0 19.7 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:Cl401 b:15.9 occ:1.00 H2 B:HOH725 2.2 0.0 1.0 H B:SER141 2.5 18.0 1.0 MN B:MN350 2.6 10.5 1.0 H1 B:HOH3 2.9 0.0 1.0 OG B:SER141 2.9 8.5 1.0 O B:HOH725 3.1 14.3 1.0 OG B:SER139 3.1 11.0 1.0 H1 B:HOH725 3.1 0.0 1.0 CB B:SER139 3.3 10.6 1.0 O B:HOH3 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:HOH3 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:HOH4 3.7 8.4 1.0 CG B:MET140 3.7 19.6 1.0 H1 B:HOH823 3.7 0.0 1.0 HG B:SER141 3.8 18.0 1.0 H2 B:HOH4 3.9 0.0 1.0 CA B:SER141 4.0 11.0 1.0 H2 B:HOH718 4.0 0.0 1.0 N B:MET140 4.0 12.3 1.0 OG1 B:THR206 4.0 5.5 1.0 O B:HOH718 4.1 13.8 1.0 C B:SER139 4.4 11.4 1.0 H1 B:HOH896 4.4 0.0 1.0 CA B:SER139 4.4 10.9 1.0 C B:MET140 4.4 12.2 1.0 O B:LEU204 4.4 8.2 1.0 O B:HOH729 4.4 11.8 1.0 H1 B:HOH4 4.5 0.0 1.0 O B:HOH823 4.6 25.4 1.0 CA B:MET140 4.6 13.0 1.0 OD1 B:ASP239 4.6 7.9 1.0 CB B:MET140 4.7 15.1 1.0 SD B:MET140 4.9 26.3 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