Calcium in PDB 2c25: 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid

The structure of 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid, PDB code: 2c25 was solved by G.Cioci, E.P.Mitchell, V.Chazalet, C.Gautier, S.Oscarson, H.Debray, S.Perez, A.Imberty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.17 / 1.8
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.728, 144.403, 52.601, 90.00, 92.98, 90.00
R / Rfree (%)	18.6 / 23.1

The binding sites of Calcium atom in the 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid (pdb code 2c25). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid, PDB code: 2c25:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca500 b:16.4 occ:1.00 O A:HOH2233 2.4 13.2 1.0 O A:CYS349 2.4 15.4 1.0 OD1 A:ASP343 2.4 16.0 1.0 OG1 A:THR345 2.4 14.9 1.0 OD2 A:ASP351 2.4 12.8 1.0 OD1 A:ASP347 2.4 15.5 1.0 OD1 A:ASP351 2.7 14.7 1.0 CG A:ASP351 2.9 14.1 1.0 CG A:ASP347 3.5 15.7 1.0 CG A:ASP343 3.5 13.4 1.0 C A:CYS349 3.5 15.9 1.0 CB A:THR345 3.6 16.5 1.0 OD2 A:ASP347 4.0 17.9 1.0 CG2 A:THR345 4.0 15.1 1.0 N A:THR345 4.0 14.8 1.0 N A:CYS349 4.2 17.2 1.0 OD2 A:ASP343 4.2 15.8 1.0 O A:HOH2227 4.3 19.6 1.0 CA A:THR345 4.3 15.6 1.0 CA A:CYS349 4.3 17.2 1.0 CB A:ASP351 4.3 13.0 1.0 N A:ASP351 4.3 13.9 1.0 N A:LEU344 4.4 14.1 1.0 CA A:ASP343 4.4 13.1 1.0 C A:ALA350 4.4 12.1 1.0 N A:ASP347 4.5 15.2 1.0 N A:ALA350 4.5 14.1 1.0 CB A:CYS349 4.5 17.7 1.0 CB A:ASP343 4.5 12.2 1.0 CB A:ASN365 4.5 15.6 1.0 CA A:ALA350 4.6 13.7 1.0 N A:GLY346 4.6 14.1 1.0 CB A:ASP347 4.6 15.1 1.0 C A:THR345 4.7 13.8 1.0 O A:ASN365 4.9 16.3 1.0 CA A:ASP351 4.9 12.4 1.0 O A:ALA350 4.9 13.1 1.0 C A:ASP343 4.9 12.1 1.0 CA A:ASP347 4.9 15.8 1.0 N A:GLY348 5.0 16.6 1.0

Calcium binding site 2 out of 2 in the 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 1.8A Crystal Structure of Psathyrella Velutina Lectin in Complex with N-Acetylneuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca500 b:17.9 occ:1.00 O B:CYS349 2.3 18.4 1.0 OG1 B:THR345 2.4 17.7 1.0 OD2 B:ASP351 2.4 17.6 1.0 OD1 B:ASP347 2.4 18.6 1.0 OD1 B:ASP343 2.4 15.9 1.0 O B:HOH2156 2.4 21.2 1.0 OD1 B:ASP351 2.8 20.2 1.0 CG B:ASP351 2.9 20.1 1.0 CG B:ASP347 3.4 18.4 1.0 C B:CYS349 3.5 18.0 1.0 CG B:ASP343 3.6 15.4 1.0 CB B:THR345 3.6 18.2 1.0 OD2 B:ASP347 3.9 22.8 1.0 CG2 B:THR345 3.9 19.8 1.0 N B:THR345 4.0 16.3 1.0 N B:CYS349 4.2 18.7 1.0 CA B:CYS349 4.2 19.9 1.0 CA B:THR345 4.3 16.7 1.0 O B:HOH2151 4.3 21.6 1.0 OD2 B:ASP343 4.3 16.0 1.0 CB B:ASP351 4.3 19.5 1.0 N B:LEU344 4.4 15.4 1.0 N B:ASP351 4.4 18.6 1.0 CB B:CYS349 4.4 20.0 1.0 N B:ASP347 4.4 15.4 1.0 C B:ALA350 4.4 17.9 1.0 CB B:ASN365 4.5 24.7 1.0 N B:ALA350 4.5 17.6 1.0 CA B:ASP343 4.5 14.2 1.0 CB B:ASP343 4.6 13.6 1.0 CB B:ASP347 4.6 18.2 1.0 CA B:ALA350 4.6 18.0 1.0 N B:GLY346 4.6 15.9 1.0 C B:THR345 4.7 16.4 1.0 O B:ASN365 4.8 25.0 1.0 CA B:ASP351 4.9 18.4 1.0 O B:ALA350 4.9 19.6 1.0 C B:ASP343 4.9 15.2 1.0 CA B:ASP347 4.9 16.7 1.0 N B:GLY348 4.9 16.6 1.0

G.Cioci, E.P.Mitchell, V.Chazalet, H.Debray, S.Oscarson, M.Lahmann, C.Gautier, C.Breton, S.Perez, A.Imberty. Beta-Propeller Crystal Structure of Psathyrella Velutina Lectin: An Integrin-Like Fungal Protein Interacting with Monosaccharides and Calcium. J.Mol.Biol. V. 357 1575 2006.
ISSN: ISSN 0022-2836
PubMed: 16497330
DOI: 10.1016/J.JMB.2006.01.066