Calcium in PDB 2xju: X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose

The structure of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose, PDB code: 2xju was solved by M.Veelders, S.Brueckner, D.Ott, C.Unverzagt, H.-U.Moesch, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.40 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.470, 62.570, 105.770, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.7

The structure of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Calcium atom in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose (pdb code 2xju). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose, PDB code: 2xju:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1272 b:7.1 occ:1.00 OD2 A:ASP160 2.2 9.0 1.0 O A:TRP228 2.3 6.9 1.0 OD1 A:ASN224 2.3 7.6 1.0 O A:VAL226 2.3 5.1 1.0 O4 A:MAN1278 2.4 8.7 0.8 O3 A:MAN1278 2.6 6.1 0.8 OD2 A:ASP161 2.6 12.1 1.0 C4 A:MAN1278 3.2 12.9 0.8 CG A:ASP160 3.2 9.4 1.0 C3 A:MAN1278 3.3 11.3 0.8 CG A:ASP161 3.4 9.2 1.0 CG A:ASN224 3.4 6.1 1.0 C A:TRP228 3.5 6.5 1.0 OD1 A:ASP160 3.5 11.4 1.0 C A:VAL226 3.6 5.7 1.0 OD1 A:ASP161 3.7 10.9 1.0 ND2 A:ASN224 3.9 7.0 1.0 N A:TRP228 4.0 6.1 1.0 N A:VAL226 4.0 6.5 1.0 C A:ALA227 4.2 6.1 1.0 CA A:TRP228 4.3 6.6 1.0 CA A:VAL226 4.4 6.4 1.0 C A:ASP160 4.4 8.4 1.0 O A:ALA227 4.4 6.3 1.0 N A:ASP161 4.4 8.1 1.0 O A:ASP160 4.5 8.3 1.0 N A:ALA227 4.5 5.8 1.0 N A:GLY229 4.5 7.5 1.0 N A:ALA225 4.5 6.1 1.0 CB A:ASP160 4.6 9.8 1.0 CB A:ASP161 4.6 7.8 1.0 C5 A:MAN1278 4.6 16.6 0.8 CG1 A:VAL226 4.6 8.5 1.0 CB A:ASN224 4.7 6.9 1.0 C2 A:MAN1278 4.7 13.9 0.8 CA A:GLY229 4.7 8.0 1.0 CA A:ALA227 4.7 5.8 1.0 CA A:ASN224 4.9 6.7 1.0 CA A:ASP161 4.9 8.0 1.0 CA A:ASP160 4.9 9.8 1.0 CB A:TRP228 5.0 6.2 1.0 CB A:ALA227 5.0 6.7 1.0 O A:HOH2303 5.0 33.3 1.0

Calcium binding site 2 out of 2 in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae with Mutation S227A in Complex with Calcium and A1,2-Mannobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1276 b:11.6 occ:0.80 O A:HOH2308 2.3 24.0 1.0 O A:HOH2313 2.4 18.2 0.5 O A:HOH2312 2.4 22.3 1.0 OG A:SER170 2.4 9.5 1.0 O A:HOH2307 2.4 15.0 1.0 OE1 A:GLU174 2.5 16.6 1.0 O A:HOH2313 2.5 18.3 0.5 OE2 A:GLU174 2.6 16.5 1.0 CD A:GLU174 2.9 13.7 1.0 CB A:SER170 3.4 9.7 1.0 CA A:SER170 4.3 9.5 1.0 O A:HOH2311 4.3 22.8 1.0 O A:HOH2315 4.4 14.4 0.5 O A:HOH2025 4.4 20.4 0.5 CG A:GLU174 4.4 11.0 1.0 O A:HOH2028 4.4 13.8 1.0 O A:HOH2444 4.4 18.1 1.0 OE2 A:GLU27 4.5 11.3 1.0 O A:HOH2315 4.6 21.0 0.5 O A:HOH2309 4.6 42.4 1.0 O A:HOH2165 4.9 35.8 1.0 N A:SER170 4.9 9.4 1.0

M.Veelders, S.Brueckner, D.Ott, C.Unverzagt, H.-U.Moesch, L.-O.Essen. Structural Basis of Flocculin-Mediated Social Behavior in Yeast Proc.Natl.Acad.Sci.Usa V. 107 22511 2010.
ISSN: ISSN 0027-8424
PubMed: 21149680
DOI: 10.1073/PNAS.1013210108