Calcium in PDB 4r9t: L-Ficolin Complexed to Sulphates

The structure of L-Ficolin Complexed to Sulphates, PDB code: 4r9t was solved by E.Laffly, M.Lacroix, L.Martin, E.Vassal-Stermann, N.Thielens, C.Gaboriaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.05 / 2.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.110, 96.110, 141.190, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 21.8

The binding sites of Calcium atom in the L-Ficolin Complexed to Sulphates (pdb code 4r9t). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the L-Ficolin Complexed to Sulphates, PDB code: 4r9t:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the L-Ficolin Complexed to Sulphates


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of L-Ficolin Complexed to Sulphates within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:26.5 occ:1.00 OD1 B:ASP226 2.3 23.9 1.0 O B:GLY230 2.3 28.8 1.0 O B:HOH424 2.3 26.4 1.0 OD2 B:ASP224 2.3 25.8 1.0 O B:ASN228 2.4 25.7 1.0 O B:HOH422 2.4 20.2 1.0 OD1 B:ASP224 2.4 25.9 1.0 CG B:ASP224 2.8 24.6 1.0 CG B:ASP226 3.2 25.1 1.0 C B:GLY230 3.4 26.7 1.0 OD2 B:ASP226 3.5 26.7 1.0 C B:ASN228 3.5 26.3 1.0 N B:ASN228 4.0 28.3 1.0 O B:ASP226 4.1 26.8 1.0 CA B:ASN228 4.2 27.5 1.0 C B:THR229 4.2 27.1 1.0 CB B:ASP224 4.3 24.8 1.0 N B:GLY230 4.3 27.0 1.0 N B:ASN231 4.3 25.1 1.0 CB B:ASN228 4.3 28.1 1.0 CA B:GLY230 4.4 26.5 1.0 CA B:ASN231 4.4 26.4 1.0 O B:THR229 4.4 28.0 1.0 C B:ASP226 4.5 24.5 1.0 N B:THR229 4.5 26.3 1.0 CB B:ASP226 4.5 24.8 1.0 N B:ASP226 4.5 23.0 1.0 CA B:THR229 4.7 27.1 1.0 CA B:ASP226 4.8 23.9 1.0

Calcium binding site 2 out of 3 in the L-Ficolin Complexed to Sulphates


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of L-Ficolin Complexed to Sulphates within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:71.6 occ:0.50 OD2 A:ASP224 2.3 0.0 1.0 OD1 A:ASP226 2.3 0.9 1.0 O A:ASN228 2.3 0.7 1.0 OD1 A:ASP224 2.4 0.1 1.0 O A:HOH407 2.4 52.9 1.0 O A:GLY230 2.4 0.3 1.0 CG A:ASP224 2.7 0.4 1.0 CG A:ASP226 3.2 0.6 1.0 C A:ASN228 3.5 0.4 1.0 C A:GLY230 3.5 0.6 1.0 OD2 A:ASP226 3.6 1.0 1.0 O A:ASP226 3.9 0.9 1.0 N A:ASN228 4.1 0.3 1.0 CB A:ASP224 4.2 0.5 1.0 CA A:ASN228 4.2 0.9 1.0 C A:THR229 4.3 0.6 1.0 C A:ASP226 4.3 0.7 1.0 N A:GLY230 4.4 0.9 1.0 O A:THR229 4.4 0.5 1.0 N A:ASN231 4.4 0.4 1.0 CA A:GLY230 4.5 0.1 1.0 CB A:ASN228 4.5 0.5 1.0 N A:THR229 4.5 0.8 1.0 N A:ASP226 4.5 0.7 1.0 CB A:ASP226 4.5 0.6 1.0 CA A:ASN231 4.5 0.1 1.0 CA A:ASP226 4.7 0.8 1.0 CA A:THR229 4.7 0.3 1.0

Calcium binding site 3 out of 3 in the L-Ficolin Complexed to Sulphates


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of L-Ficolin Complexed to Sulphates within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:42.5 occ:1.00 O C:GLY230 2.3 34.6 1.0 O C:HOH412 2.3 32.5 1.0 OD1 C:ASP226 2.3 35.7 1.0 OD2 C:ASP224 2.3 35.6 1.0 O C:HOH409 2.3 38.2 1.0 O C:ASN228 2.4 42.0 1.0 OD1 C:ASP224 2.4 39.5 1.0 CG C:ASP224 2.7 36.3 1.0 CG C:ASP226 3.1 37.2 1.0 OD2 C:ASP226 3.4 36.1 1.0 C C:GLY230 3.5 39.6 1.0 C C:ASN228 3.5 46.5 1.0 O C:ASP226 4.0 40.0 1.0 N C:ASN228 4.1 50.0 1.0 C C:THR229 4.2 48.7 1.0 CA C:ASN228 4.2 46.5 1.0 CB C:ASP224 4.2 35.3 1.0 N C:ASN231 4.3 34.3 1.0 N C:GLY230 4.3 44.6 1.0 O C:THR229 4.3 53.1 1.0 C C:ASP226 4.4 41.1 1.0 CA C:ASN231 4.4 32.9 1.0 CB C:ASN228 4.4 44.9 1.0 N C:THR229 4.5 47.6 1.0 CA C:GLY230 4.5 41.1 1.0 CB C:ASP226 4.5 38.0 1.0 N C:ASP226 4.6 40.7 1.0 CA C:THR229 4.6 51.4 1.0 CA C:ASP226 4.7 40.1 1.0

E.Laffly, M.Lacroix, L.Martin, E.Vassal-Stermann, N.Thielens, C.Gaboriaud. Human Ficolin-2 Recognition Versatility Extended: An Update on Its Binding to Sulphated/Phosphated Carbohydrates. Febs Lett. 2014.
ISSN: ISSN 0014-5793