Calcium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the CUB1-Egf Interaction Domain of Complement Protease C1S, PDB code: 1nzi:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca1001 b:13.4 occ:1.00 O A:HOH1005 2.3 15.0 1.0 OD1 A:ASN134 2.3 12.6 1.0 O A:ILE117 2.4 16.4 1.0 O A:PHE135 2.5 14.1 1.0 OE1 A:GLU119 2.5 15.9 1.0 OD1 A:ASP116 2.5 14.7 1.0 O A:GLY138 2.5 12.6 1.0 OD2 A:ASP116 2.9 19.3 1.0 CG A:ASP116 3.0 16.3 1.0 CG A:ASN134 3.4 14.5 1.0 CD A:GLU119 3.5 16.3 1.0 C A:GLY138 3.5 12.2 1.0 N A:GLY138 3.6 14.4 1.0 C A:ILE117 3.6 14.9 1.0 C A:PHE135 3.7 14.2 1.0 OE2 A:GLU119 3.7 18.5 1.0 ND2 A:ASN134 3.9 16.4 1.0 CA A:GLY138 3.9 15.5 1.0 N A:PHE135 4.0 12.4 1.0 N A:GLY137 4.0 14.2 1.0 N A:ILE117 4.3 15.5 1.0 CA A:ASN118 4.3 17.4 1.0 C A:GLY137 4.3 15.7 1.0 N A:GLU119 4.4 18.1 1.0 N A:ASN118 4.4 15.7 1.0 CA A:PHE135 4.5 12.6 1.0 CB A:ASP116 4.5 14.7 1.0 CA A:ILE117 4.6 16.2 1.0 O A:GLY32 4.6 15.3 1.0 N A:ILE136 4.6 12.7 1.0 CA A:GLY137 4.6 15.4 1.0 CB A:ASN134 4.6 13.5 1.0 CA A:ILE136 4.7 14.6 1.0 C A:ILE136 4.7 15.5 1.0 N A:TYR139 4.7 12.6 1.0 C A:ASN134 4.8 12.0 1.0 CA A:ASN134 4.9 11.1 1.0 CG A:GLU119 4.9 18.9 1.0 C A:ASP116 4.9 13.9 1.0 C A:ASN118 4.9 22.2 1.0 CB A:ILE117 5.0 19.9 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca1002 b:13.8 occ:1.00 O B:HOH1010 2.4 15.8 1.0 O B:ILE117 2.4 16.1 1.0 OD1 B:ASN134 2.4 13.5 1.0 O B:PHE135 2.4 13.4 1.0 OD1 B:ASP116 2.5 15.1 1.0 OE1 B:GLU119 2.5 16.6 1.0 O B:GLY138 2.5 14.0 1.0 OD2 B:ASP116 2.9 18.4 1.0 CG B:ASP116 3.0 16.2 1.0 CG B:ASN134 3.4 13.9 1.0 CD B:GLU119 3.5 19.2 1.0 C B:GLY138 3.5 14.4 1.0 N B:GLY138 3.6 15.6 1.0 C B:ILE117 3.6 14.1 1.0 C B:PHE135 3.7 13.4 1.0 OE2 B:GLU119 3.7 19.3 1.0 ND2 B:ASN134 3.8 15.7 1.0 CA B:GLY138 3.9 13.6 1.0 N B:GLY137 4.0 15.5 1.0 N B:PHE135 4.0 13.6 1.0 N B:ILE117 4.3 14.2 1.0 C B:GLY137 4.3 18.9 1.0 CA B:ASN118 4.4 14.8 1.0 N B:GLU119 4.4 17.8 1.0 N B:ASN118 4.5 15.4 1.0 CA B:PHE135 4.5 15.2 1.0 CA B:ILE117 4.5 16.9 1.0 CB B:ASP116 4.5 14.6 1.0 N B:ILE136 4.6 14.4 1.0 O B:GLY32 4.6 15.6 1.0 CA B:ILE136 4.6 14.6 1.0 CA B:GLY137 4.6 15.0 1.0 N B:TYR139 4.7 14.1 1.0 C B:ILE136 4.7 14.1 1.0 CB B:ASN134 4.7 12.3 1.0 CG B:GLU119 4.9 18.8 1.0 C B:ASN134 4.9 14.7 1.0 CA B:ASN134 4.9 13.0 1.0 C B:ASP116 4.9 14.1 1.0 CB B:ILE117 4.9 15.6 1.0 C B:ASN118 5.0 20.4 1.0 CB B:TYR139 5.0 15.8 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