Manganese 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:

Chlorine

(Cl)

2 atoms

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

Manganese 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 Manganese with other atoms in the Mn binding site number 1 of CD11A I-Domain with Bound Magnesium Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn350 b:6.5 occ:1.00 H1 A:HOH2 1.4 0.0 1.0 OD1 A:ASP239 2.0 4.6 1.0 O A:HOH1 2.0 3.5 1.0 O A:HOH2 2.1 6.5 1.0 OG A:SER141 2.1 7.5 1.0 OG A:SER139 2.1 6.7 1.0 HG A:SER139 2.3 18.0 1.0 H2 A:HOH1 2.4 0.0 1.0 CL A:CL401 2.5 10.2 1.0 HG A:SER141 2.6 18.0 1.0 H1 A:HOH1 2.8 0.0 1.0 H2 A:HOH2 2.8 0.0 1.0 CB A:SER139 3.1 6.3 1.0 CG A:ASP239 3.1 5.2 1.0 CB A:SER141 3.2 7.5 1.0 H A:SER141 3.4 18.0 1.0 OD2 A:ASP239 3.6 5.4 1.0 OD2 A:ASP137 3.8 2.0 1.0 OG1 A:THR206 3.9 5.6 1.0 OD1 A:ASP137 4.0 2.8 1.0 H2 A:HOH779 4.0 0.0 1.0 C A:ASP239 4.0 6.5 1.0 N A:GLY240 4.1 7.0 1.0 O A:ASP239 4.1 7.5 1.0 HG1 A:THR206 4.2 18.0 1.0 N A:SER141 4.2 7.1 1.0 O A:HOH788 4.2 7.4 1.0 H A:ASP239 4.2 18.0 1.0 H2 A:HOH788 4.3 0.0 1.0 CA A:SER141 4.3 7.2 1.0 CA A:GLY240 4.3 6.8 1.0 CG A:ASP137 4.4 2.6 1.0 CB A:ASP239 4.4 5.6 1.0 CA A:SER139 4.4 6.6 1.0 H1 A:HOH779 4.5 0.0 1.0 H A:GLY240 4.5 18.0 1.0 H A:LEU142 4.5 18.0 1.0 O A:HOH779 4.6 16.2 1.0 CA A:ASP239 4.6 6.1 1.0 H1 A:HOH788 4.6 0.0 1.0 C A:SER139 4.7 6.4 1.0 H A:SER139 4.7 18.0 1.0 N A:ASP239 4.8 6.0 1.0 O A:HOH789 4.9 6.7 1.0 HD1 A:HIS264 4.9 0.0 1.0 H A:MET140 4.9 18.0 1.0 N A:MET140 5.0 6.1 1.0

Manganese 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 Manganese with other atoms in the Mn binding site number 2 of CD11A I-Domain with Bound Magnesium Ion within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn350 b:10.5 occ:1.00 H1 B:HOH3 1.8 0.0 1.0 HG B:SER139 1.9 18.0 1.0 O B:HOH4 2.0 8.4 1.0 OD1 B:ASP239 2.1 7.9 1.0 OG B:SER141 2.1 8.5 1.0 O B:HOH3 2.1 6.1 1.0 OG B:SER139 2.1 11.0 1.0 HG B:SER141 2.4 18.0 1.0 CL B:CL401 2.6 15.9 1.0 H1 B:HOH4 2.6 0.0 1.0 H2 B:HOH4 2.8 0.0 1.0 H2 B:HOH3 3.0 0.0 1.0 CG B:ASP239 3.1 7.5 1.0 CB B:SER139 3.2 10.6 1.0 CB B:SER141 3.3 9.6 1.0 OD2 B:ASP239 3.5 5.4 1.0 H B:SER141 3.6 18.0 1.0 OG1 B:THR206 4.0 5.5 1.0 OD1 B:ASP137 4.0 6.7 1.0 O B:ASP239 4.0 7.6 1.0 C B:ASP239 4.0 6.9 1.0 OD2 B:ASP137 4.1 8.3 1.0 H2 B:HOH725 4.2 0.0 1.0 N B:GLY240 4.2 7.0 1.0 HG1 B:THR206 4.2 18.0 1.0 O B:HOH718 4.3 13.8 1.0 N B:SER141 4.3 11.8 1.0 H B:ASP239 4.3 18.0 1.0 CA B:SER141 4.3 11.0 1.0 CA B:GLY240 4.4 7.1 1.0 CG B:ASP137 4.4 6.7 1.0 H1 B:HOH725 4.4 0.0 1.0 CB B:ASP239 4.4 6.5 1.0 H B:LEU142 4.4 18.0 1.0 CA B:SER139 4.5 10.9 1.0 H B:GLY240 4.6 18.0 1.0 CA B:ASP239 4.6 6.7 1.0 H2 B:HOH718 4.7 0.0 1.0 O B:HOH725 4.7 14.3 1.0 H B:SER139 4.7 18.0 1.0 O B:HOH729 4.7 11.8 1.0 C B:SER139 4.8 11.4 1.0 N B:ASP239 4.9 7.1 1.0 N B:LEU142 4.9 10.5 1.0 H1 B:HOH718 5.0 0.0 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