Calcium in PDB 1qos: Lectin Uea-II Complexed with Chitobiose

The structure of Lectin Uea-II Complexed with Chitobiose, PDB code: 1qos was solved by R.Loris, H.De Greve, M.-H.Dao-Thi, J.Messens, A.Imberty, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.030, 106.030, 87.020, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22.3

The structure of Lectin Uea-II Complexed with Chitobiose also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Lectin Uea-II Complexed with Chitobiose (pdb code 1qos). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Lectin Uea-II Complexed with Chitobiose, PDB code: 1qos:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Lectin Uea-II Complexed with Chitobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lectin Uea-II Complexed with Chitobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:57.2 occ:1.00 OD1 A:ASP128 2.1 45.3 1.0 OD1 A:ASN136 2.2 63.8 1.0 OD2 A:ASP139 2.3 60.2 1.0 O A:TYR130 2.4 52.7 1.0 CG A:ASP128 2.8 40.7 1.0 OD2 A:ASP128 2.9 39.1 1.0 CG A:ASN136 3.4 61.7 1.0 CG A:ASP139 3.5 60.1 1.0 C A:TYR130 3.6 53.7 1.0 OD1 A:ASP139 4.0 63.7 1.0 CB A:ASN136 4.1 61.9 1.0 CB A:ASP128 4.2 41.2 1.0 CD2 A:TYR130 4.3 58.9 1.0 CA A:TYR130 4.4 52.5 1.0 O A:ASP86 4.4 47.8 1.0 ND2 A:ASN136 4.5 64.0 1.0 NE1 A:TRP138 4.5 58.8 1.0 CB A:TYR130 4.5 55.0 1.0 MN A:MN301 4.5 31.0 1.0 CZ A:PHE108 4.5 44.3 1.0 O A:GLY106 4.5 50.0 1.0 N A:PHE131 4.5 54.9 1.0 N A:TYR130 4.6 50.5 1.0 CB A:ASP139 4.6 57.6 1.0 CA A:PHE131 4.7 55.9 1.0 CG A:TYR130 4.9 57.0 1.0 CA A:GLY106 4.9 51.3 1.0 OD1 A:ASP86 4.9 55.7 1.0 CE1 A:HIS144 4.9 41.7 1.0 CA A:ASP128 4.9 41.6 1.0

Calcium binding site 2 out of 2 in the Lectin Uea-II Complexed with Chitobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lectin Uea-II Complexed with Chitobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:52.9 occ:1.00 OD1 B:ASP128 2.0 41.7 1.0 O B:TYR130 2.3 52.8 1.0 OD2 B:ASP139 2.3 60.1 1.0 OD1 B:ASN136 2.3 64.9 1.0 CG B:ASP128 2.7 39.8 1.0 OD2 B:ASP128 2.9 39.4 1.0 C B:TYR130 3.5 54.0 1.0 CG B:ASP139 3.5 59.9 1.0 CG B:ASN136 3.5 62.2 1.0 OD1 B:ASP139 4.0 63.9 1.0 CB B:ASP128 4.1 40.9 1.0 CB B:ASN136 4.2 62.4 1.0 CD2 B:TYR130 4.3 59.7 1.0 CA B:TYR130 4.3 52.9 1.0 O B:ASP86 4.4 50.7 1.0 CB B:TYR130 4.4 55.7 1.0 N B:PHE131 4.4 55.2 1.0 N B:TYR130 4.5 51.4 1.0 CZ B:PHE108 4.5 45.9 1.0 ND2 B:ASN136 4.6 64.0 1.0 NE1 B:TRP138 4.6 58.7 1.0 CA B:PHE131 4.6 56.9 1.0 MN B:MN301 4.6 38.2 1.0 O B:GLY106 4.6 52.8 1.0 CB B:ASP139 4.6 57.2 1.0 CE1 B:HIS144 4.8 44.7 1.0 CG B:TYR130 4.8 58.5 1.0 CA B:ASP128 4.8 41.8 1.0 OD1 B:ASP86 4.8 58.9 1.0 CA B:GLY106 5.0 52.4 1.0

R.Loris, H.De Greve, M.-H.Dao-Thi, J.Messens, A.Imberty, L.Wyns. Structural Basis of Carbohydrate Recognition By Lectin II From Ulex Europaeus, A Protein with A Promiscuous Carbohydrate Binding Site J.Mol.Biol. V. 301 987 2000.
ISSN: ISSN 0022-2836
PubMed: 10966800
DOI: 10.1006/JMBI.2000.4016