Magnesium in PDB 1nzi: Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S

All present enzymatic activity of Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S:
3.4.21.42;

The structure of Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S, PDB code: 1nzi was solved by L.A.Gregory, N.M.Thielens, G.J.Arlaud, J.C.Fontecilla-Camps, C.Gaboriaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	35.134, 47.499, 56.679, 87.74, 78.04, 75.67
R / Rfree (%)	21.6 / 23.4

The structure of Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S (pdb code 1nzi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S, PDB code: 1nzi:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1003 b:14.4 occ:1.00 O A:ASP98 2.2 22.2 1.0 OD1 A:ASP98 2.3 21.7 1.0 OE1 A:GLU45 2.3 18.3 1.0 O A:HOH1110 2.4 25.8 1.0 OD1 A:ASP53 2.5 14.8 1.0 O A:HOH1109 2.5 20.2 1.0 C A:ASP98 3.3 19.2 1.0 CG A:ASP53 3.3 15.6 1.0 CD A:GLU45 3.4 17.9 1.0 CG A:ASP98 3.5 19.3 1.0 OD2 A:ASP53 3.6 16.0 1.0 OE2 A:GLU45 3.8 21.4 1.0 N A:ASP98 3.8 16.9 1.0 O A:HOH1025 3.9 22.7 1.0 CA A:ASP98 3.9 18.2 1.0 CB A:ASP98 4.3 19.1 1.0 N A:ASP53 4.3 14.3 1.0 CB A:PHE99 4.3 22.7 1.0 N A:PHE99 4.4 22.6 1.0 CD2 A:PHE99 4.4 21.7 1.0 CB A:TYR52 4.4 16.5 1.0 OD2 A:ASP98 4.4 27.3 1.0 CB A:ASP53 4.6 16.9 1.0 O A:SER100 4.6 25.5 1.0 CG A:GLU45 4.7 18.9 1.0 CA A:PHE99 4.7 20.9 1.0 C A:PHE99 4.8 25.6 1.0 CB A:GLU45 4.9 15.1 1.0 CA A:ASP53 4.9 14.5 1.0 CG A:PHE99 4.9 23.6 1.0 C A:SER97 4.9 17.8 1.0 O A:PHE99 5.0 24.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1004 b:21.7 occ:1.00 O B:HOH1134 2.0 35.7 1.0 OD2 B:ASP53 2.5 18.6 1.0 OD1 B:ASP53 2.6 18.7 1.0 O B:HOH1122 2.6 23.2 1.0 O B:ASP98 2.6 28.0 1.0 OE1 B:GLU45 2.7 34.7 1.0 CG B:ASP53 2.8 16.2 1.0 CD B:GLU45 3.6 29.1 1.0 C B:ASP98 3.7 23.9 1.0 O B:HOH1140 3.9 37.7 1.0 N B:ASP98 3.9 18.6 1.0 O B:SER100 4.1 26.8 1.0 OE2 B:GLU45 4.2 29.2 0.0 CA B:ASP98 4.3 21.6 1.0 CB B:ASP53 4.3 14.5 1.0 O B:PHE99 4.4 27.7 1.0 CB B:GLU45 4.5 20.5 1.0 OG B:SER97 4.6 21.0 1.0 C B:SER100 4.7 23.8 1.0 CG B:GLU45 4.7 21.2 0.5 CB B:ASP98 4.7 25.6 1.0 C B:PHE99 4.7 25.0 1.0 OH B:TYR17 4.8 14.7 1.0 N B:PHE99 4.8 24.3 1.0 C B:SER97 4.8 19.2 1.0 O B:HOH1139 4.8 34.6 1.0 CA B:ASN101 4.8 20.9 1.0 CE1 B:TYR17 4.9 14.3 1.0

L.A.Gregory, N.M.Thielens, G.J.Arlaud, J.C.Fontecilla-Camps, C.Gaboriaud. X-Ray Structure of the CA2+-Binding Interaction Domain of C1S. Insights Into the Assembly of the C1 Complex of Complement J.Biol.Chem. V. 278 32157 2003.
ISSN: ISSN 0021-9258
PubMed: 12788922
DOI: 10.1074/JBC.M305175200