Calcium in PDB 2wra: Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide

The structure of Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide, PDB code: 2wra was solved by E.Lameignere, T.C.Shiao, R.Roy, M.Wimmerova, F.Dubreuil, A.Varrot, A.Imberty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.45 / 1.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.296, 66.296, 46.159, 90.00, 90.00, 120.00
R / Rfree (%)	14.355 / 17.3

The binding sites of Calcium atom in the Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide (pdb code 2wra). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide, PDB code: 2wra:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:9.4 occ:1.00 OD1 A:ASN117 2.3 9.4 1.0 OD1 A:ASP118 2.4 9.3 1.0 O A:ASN28 2.4 8.8 1.0 OD2 A:ASP115 2.4 11.5 1.0 O3 A:MAN201 2.5 11.0 0.5 O2 A:MAN201 2.5 10.0 0.5 OD1 A:ASP115 3.0 11.4 1.0 CG A:ASP115 3.1 11.0 1.0 C3 A:MAN201 3.3 9.8 0.5 C2 A:MAN201 3.4 9.6 0.5 CG A:ASN117 3.4 9.2 1.0 C A:ASN28 3.6 7.8 1.0 CG A:ASP118 3.6 8.6 1.0 CA A:CA302 3.7 10.7 1.0 ND2 A:ASN117 3.7 10.4 1.0 C4 A:MAN201 3.9 9.5 0.5 CB A:ASN28 4.1 8.2 1.0 CA A:ASP118 4.2 7.9 1.0 N A:ASP118 4.4 7.8 1.0 N A:ALA29 4.4 8.4 1.0 OD2 A:ASP118 4.4 9.8 1.0 C A:ASN117 4.5 7.8 1.0 CB A:ASP118 4.5 8.2 1.0 CA A:ALA29 4.5 9.2 1.0 O4 A:MAN201 4.5 9.6 0.5 CB A:ASP115 4.5 12.2 1.0 CA A:ASN28 4.5 7.8 1.0 O A:HOH2170 4.6 25.7 1.0 OD2 A:ASP113 4.6 19.2 1.0 CB A:ASN117 4.7 9.1 1.0 O A:ASN117 4.7 8.2 1.0 C1 A:MAN201 4.7 11.4 0.5 N A:ASN117 4.9 9.2 1.0 CB A:ALA29 4.9 9.9 1.0 CA A:ASN117 4.9 8.6 1.0 OD1 A:ASP113 4.9 13.7 1.0

Calcium binding site 2 out of 2 in the Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bcla Lectin From Burkholderia Cenocepacia Complexed with AMAN1(AMAN1-6)-3MAN Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:10.7 occ:1.00 OD1 A:ASP113 2.3 13.7 1.0 OD1 A:ASP115 2.4 11.4 1.0 OD2 A:ASP118 2.4 9.8 1.0 OE2 A:GLU109 2.4 11.9 1.0 OE1 A:GLU109 2.5 12.2 1.0 O4 A:MAN201 2.5 9.6 0.5 O3 A:MAN201 2.5 11.0 0.5 OD1 A:ASP118 2.6 9.3 1.0 CD A:GLU109 2.8 11.2 1.0 CG A:ASP118 2.9 8.6 1.0 C4 A:MAN201 3.3 9.5 0.5 CG A:ASP113 3.3 14.2 1.0 C3 A:MAN201 3.4 9.8 0.5 CG A:ASP115 3.4 11.0 1.0 OD2 A:ASP113 3.7 19.2 1.0 CA A:CA301 3.7 9.4 1.0 OD2 A:ASP115 3.9 11.5 1.0 OD1 A:ASP110 4.0 12.2 1.0 N A:ASP115 4.2 13.5 1.0 N A:ASP113 4.2 19.6 1.0 CG A:GLU109 4.3 12.7 1.0 CB A:ASP118 4.3 8.2 1.0 O A:ASP113 4.4 20.7 1.0 C A:ASP113 4.4 18.6 1.0 N A:TYR116 4.4 11.4 1.0 N A:ASP110 4.5 10.1 1.0 CB A:ASP115 4.6 12.2 1.0 CB A:ASP113 4.6 17.2 1.0 CA A:ASP113 4.7 17.6 1.0 C2 A:MAN201 4.7 9.6 0.5 CG A:ASP110 4.7 10.7 1.0 OD1 A:ASN117 4.7 9.4 1.0 CA A:ASP115 4.7 12.3 1.0 CA A:GLU109 4.7 10.5 1.0 C5 A:MAN201 4.8 10.7 0.5 O2 A:MAN201 4.8 10.0 0.5 N A:SER114 4.8 17.7 0.5 N A:GLY111 4.8 14.2 1.0 N A:SER114 4.8 17.8 0.5 N A:HIS112 4.9 21.1 1.0 CB A:GLU109 4.9 11.9 1.0 C A:ASP115 5.0 11.8 1.0

E.Lameignere, T.C.Shiao, R.Roy, M.Wimmerova, F.Dubreuil, A.Varrot, A.Imberty. Structural Basis of the Affinity For Oligomannosides and Analogs Displayed By BC2L-A, A Burkholderia Cenocepacia Soluble Lectin. Glycobiology V. 20 87 2010.
ISSN: ISSN 0959-6658
PubMed: 19770128
DOI: 10.1093/GLYCOB/CWP151