Calcium in PDB 1qot: Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose

The structure of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose, PDB code: 1qot 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)	30.00 / 3.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.770, 104.770, 175.190, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.5

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

Manganese

(Mn)

4 atoms

The binding sites of Calcium atom in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose (pdb code 1qot). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose, PDB code: 1qot:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


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 Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:23.6 occ:1.00 OD1 A:ASN136 2.2 45.3 1.0 OD1 A:ASP128 2.2 19.1 1.0 OD2 A:ASP139 2.2 27.9 1.0 O A:TYR130 2.4 30.9 1.0 OD2 A:ASP128 2.8 19.6 1.0 CG A:ASP128 2.9 19.0 1.0 CG A:ASN136 3.4 44.5 1.0 CG A:ASP139 3.4 27.8 1.0 C A:TYR130 3.6 31.2 1.0 OD1 A:ASP139 3.9 27.6 1.0 CB A:ASN136 4.1 43.7 1.0 OD1 A:ASP86 4.2 26.4 1.0 CB A:ASP128 4.3 18.9 1.0 CD2 A:TYR130 4.4 32.3 1.0 CA A:TYR130 4.4 29.0 1.0 MN A:MN301 4.4 10.5 1.0 O A:GLY106 4.4 20.9 1.0 CB A:TYR130 4.4 30.3 1.0 ND2 A:ASN136 4.4 45.7 1.0 N A:TYR130 4.5 25.5 1.0 NE1 A:TRP138 4.5 31.9 1.0 O A:ASP86 4.6 22.7 1.0 N A:PHE131 4.6 34.5 1.0 CB A:ASP139 4.6 28.6 1.0 CZ A:PHE108 4.7 19.2 1.0 CA A:PHE131 4.7 37.7 1.0 CG A:TYR130 4.9 31.9 1.0 CA A:GLY106 4.9 21.6 1.0 CE1 A:HIS144 5.0 19.5 1.0

Calcium binding site 2 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


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 Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:22.4 occ:1.00 OD1 B:ASP128 2.2 19.8 1.0 OD1 B:ASN136 2.3 46.5 1.0 OD2 B:ASP139 2.3 27.8 1.0 O B:TYR130 2.6 31.0 1.0 OD2 B:ASP128 2.8 19.3 1.0 CG B:ASP128 2.8 19.4 1.0 CG B:ASN136 3.4 45.8 1.0 CG B:ASP139 3.5 28.0 1.0 C B:TYR130 3.8 31.4 1.0 OD1 B:ASP139 3.9 27.9 1.0 OD1 B:ASP86 4.2 25.9 1.0 CB B:ASN136 4.2 44.7 1.0 O B:GLY106 4.2 20.9 1.0 CB B:ASP128 4.3 18.7 1.0 MN B:MN303 4.4 7.2 1.0 NE1 B:TRP138 4.4 31.9 1.0 ND2 B:ASN136 4.5 46.9 1.0 CZ B:PHE108 4.5 19.1 1.0 O B:ASP86 4.5 23.4 1.0 CD2 B:TYR130 4.5 32.6 1.0 CB B:TYR130 4.6 30.1 1.0 CA B:TYR130 4.6 29.1 1.0 N B:TYR130 4.6 25.4 1.0 CB B:ASP139 4.7 28.4 1.0 N B:PHE131 4.8 34.4 1.0 CA B:GLY106 4.8 21.9 1.0 CA B:PHE131 4.9 37.5 1.0 C B:GLY106 5.0 21.2 1.0

Calcium binding site 3 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca306 b:22.4 occ:1.00 OD1 C:ASN136 2.2 41.7 1.0 OD1 C:ASP128 2.2 19.6 1.0 OD2 C:ASP139 2.4 28.3 1.0 O C:TYR130 2.5 30.5 1.0 CG C:ASP128 2.9 19.3 1.0 OD2 C:ASP128 3.0 19.4 1.0 CG C:ASN136 3.4 41.4 1.0 C C:TYR130 3.6 31.0 1.0 CG C:ASP139 3.6 27.9 1.0 OD1 C:ASP86 4.0 25.7 1.0 OD1 C:ASP139 4.1 27.4 1.0 CB C:ASN136 4.1 41.4 1.0 CB C:TYR130 4.3 30.2 1.0 CD2 C:TYR130 4.3 33.0 1.0 O C:GLY106 4.3 21.1 1.0 CA C:TYR130 4.3 28.7 1.0 ND2 C:ASN136 4.4 41.9 1.0 CB C:ASP128 4.4 18.7 1.0 O C:ASP86 4.4 23.2 1.0 N C:TYR130 4.4 25.4 1.0 CZ C:PHE108 4.6 19.3 1.0 NE1 C:TRP138 4.6 30.6 1.0 N C:PHE131 4.6 34.2 1.0 MN C:MN305 4.6 10.8 1.0 CA C:GLY106 4.8 21.8 1.0 CB C:ASP139 4.8 28.3 1.0 CG C:TYR130 4.8 32.0 1.0 CA C:PHE131 4.8 37.4 1.0

Calcium binding site 4 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca308 b:22.9 occ:1.00 OD1 D:ASP128 2.1 19.8 1.0 OD1 D:ASN136 2.3 45.7 1.0 O D:TYR130 2.5 30.7 1.0 OD2 D:ASP139 2.5 27.2 1.0 CG D:ASP128 2.8 18.8 1.0 OD2 D:ASP128 2.9 19.6 1.0 CG D:ASN136 3.5 44.8 1.0 C D:TYR130 3.7 31.1 1.0 CG D:ASP139 3.7 28.4 1.0 OD1 D:ASP86 4.0 26.1 1.0 OD1 D:ASP139 4.2 28.1 1.0 CB D:ASN136 4.3 43.3 1.0 O D:ASP86 4.3 22.6 1.0 O D:GLY106 4.3 20.5 1.0 CB D:ASP128 4.3 18.4 1.0 CB D:TYR130 4.3 29.9 1.0 CA D:TYR130 4.3 28.9 1.0 CD2 D:TYR130 4.4 33.1 1.0 N D:TYR130 4.4 25.3 1.0 CZ D:PHE108 4.5 19.5 1.0 ND2 D:ASN136 4.5 45.2 1.0 MN D:MN307 4.6 9.8 1.0 N D:PHE131 4.7 34.3 1.0 NE1 D:TRP138 4.7 31.2 1.0 CA D:GLY106 4.8 21.7 1.0 CG D:TYR130 4.9 32.0 1.0 CB D:ASP139 4.9 28.4 1.0 CA D:PHE131 4.9 37.5 1.0 CA D:ASP128 4.9 17.7 1.0 C D:GLY106 5.0 21.1 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