Calcium in PDB 2xjr: X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and MAN5(D2-D3)

The structure of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and MAN5(D2-D3), PDB code: 2xjr 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)	19.35 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.460, 61.910, 106.430, 90.00, 90.00, 90.00
R / Rfree (%)	11.321 / 13.996

The structure of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and MAN5(D2-D3) 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 in Complex with Calcium and MAN5(D2-D3) (pdb code 2xjr). 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 in Complex with Calcium and MAN5(D2-D3), PDB code: 2xjr:
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 in Complex with Calcium and MAN5(D2-D3)


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 in Complex with Calcium and MAN5(D2-D3) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1272 b:7.6 occ:1.00 O A:TRP228 2.3 7.5 1.0 OD1 A:ASP160 2.3 10.5 1.0 OD1 A:ASN224 2.3 8.2 1.0 O A:VAL226 2.4 6.6 1.0 OD1 A:ASP161 2.4 6.9 0.2 O4 A:MAN1278 2.4 10.4 1.0 O3 A:MAN1278 2.4 9.4 1.0 OD2 A:ASP161 2.5 8.4 0.8 C3 A:MAN1278 3.2 10.3 1.0 CG A:ASP161 3.2 6.1 0.2 C4 A:MAN1278 3.3 12.4 1.0 CG A:ASP160 3.3 10.8 1.0 CG A:ASP161 3.3 8.2 0.8 CG A:ASN224 3.4 7.7 1.0 OD2 A:ASP161 3.5 6.1 0.2 C A:TRP228 3.5 6.7 1.0 C A:VAL226 3.6 5.9 1.0 OD2 A:ASP160 3.6 12.0 1.0 OD1 A:ASP161 3.7 9.2 0.8 ND2 A:ASN224 3.9 8.8 1.0 N A:VAL226 4.0 6.8 1.0 N A:TRP228 4.1 6.6 1.0 C A:SER227 4.2 5.9 1.0 CA A:TRP228 4.3 6.7 1.0 CA A:VAL226 4.4 6.7 1.0 CG1 A:VAL226 4.4 10.1 1.0 C A:ASP160 4.4 7.7 1.0 O A:SER227 4.5 6.8 1.0 N A:GLY229 4.5 7.7 1.0 O A:ASP160 4.5 8.0 1.0 OG A:SER227 4.5 7.7 1.0 N A:ASP161 4.5 7.4 1.0 CB A:ASP161 4.6 7.8 0.8 N A:SER227 4.6 6.3 1.0 CB A:ASP161 4.6 6.7 0.2 CB A:ASP160 4.6 10.3 1.0 N A:ALA225 4.6 7.8 1.0 C5 A:MAN1278 4.6 12.4 1.0 C2 A:MAN1278 4.7 11.2 1.0 CA A:GLY229 4.7 8.6 1.0 CB A:ASN224 4.7 7.3 1.0 CA A:SER227 4.8 5.9 1.0 CA A:ASN224 4.9 7.0 1.0 CA A:ASP161 4.9 7.3 0.8 CA A:ASP161 4.9 7.2 0.2 CB A:TRP228 4.9 7.1 1.0 CA A:ASP160 5.0 9.1 1.0 O A:HOH2163 5.0 25.9 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 in Complex with Calcium and MAN5(D2-D3)


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 in Complex with Calcium and MAN5(D2-D3) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1276 b:10.7 occ:0.80 O A:HOH2307 2.3 22.0 0.5 O A:HOH2278 2.4 23.3 1.0 OG A:SER170 2.4 11.2 1.0 O A:HOH2142 2.4 18.6 1.0 O A:HOH2062 2.4 12.0 1.0 OE1 A:GLU174 2.4 12.8 1.0 O A:HOH2307 2.5 25.2 0.5 OE2 A:GLU174 2.6 14.6 1.0 CD A:GLU174 2.9 11.8 1.0 CB A:SER170 3.4 10.3 1.0 CA A:SER170 4.2 9.1 1.0 O A:HOH2140 4.3 18.1 1.0 O A:HOH2309 4.3 21.4 0.5 O A:HOH2014 4.3 12.1 1.0 CG A:GLU174 4.3 10.7 1.0 O A:HOH2209 4.4 19.9 0.5 O A:HOH2121 4.4 16.7 1.0 OE2 A:GLU27 4.4 11.9 1.0 O A:HOH2309 4.5 22.9 0.5 O A:HOH2308 4.8 39.0 1.0 O A:HOH2177 4.8 32.7 1.0 N A:SER170 4.8 8.0 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