Calcium in PDB 1les: Lentil Lectin Complexed with Sucrose

The structure of Lentil Lectin Complexed with Sucrose, PDB code: 1les was solved by T.Hamelryck, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.030, 124.800, 50.020, 90.00, 111.80, 90.00
R / Rfree (%)	18.8 / n/a

The structure of Lentil Lectin Complexed with Sucrose also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

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

Calcium binding site 1 out of 2 in the Lentil Lectin Complexed with Sucrose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lentil Lectin Complexed with Sucrose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:14.7 occ:1.00 O A:HOH612 2.2 16.1 1.0 OD1 A:ASN125 2.3 16.1 1.0 OD2 A:ASP129 2.3 17.1 1.0 O A:PHE123 2.3 15.0 1.0 OD1 A:ASP121 2.4 13.4 1.0 O A:HOH611 2.4 10.8 1.0 OD2 A:ASP121 2.5 13.5 1.0 CG A:ASP121 2.8 13.6 1.0 CG A:ASP129 3.4 19.4 1.0 CG A:ASN125 3.5 16.6 1.0 C A:PHE123 3.6 18.3 1.0 OD1 A:ASP129 3.8 16.2 1.0 N A:ASN125 4.0 16.8 1.0 CB A:ASN125 4.2 17.4 1.0 MN A:MN204 4.2 18.4 1.0 CB A:ASP121 4.3 12.4 1.0 N A:PHE123 4.3 16.9 1.0 CA A:PHE123 4.3 15.3 1.0 NE1 A:TRP128 4.4 16.4 1.0 O A:HOH613 4.5 19.9 1.0 ND2 A:ASN125 4.5 14.7 1.0 N A:TYR124 4.6 17.6 1.0 CB A:PHE123 4.6 15.0 1.0 O A:ASP81 4.7 11.4 1.0 CA A:TYR124 4.7 15.3 1.0 C A:TYR124 4.7 16.0 1.0 CA A:ASN125 4.7 16.1 1.0 O A:GLY99 4.7 14.4 1.0 CB A:ASP129 4.7 18.0 1.0 OD1 A:ASP81 4.8 18.1 1.0 CD1 A:PHE123 4.8 18.0 1.0 CE1 A:HIS136 4.8 18.0 1.0 CA A:GLY99 4.9 12.0 1.0

Calcium binding site 2 out of 2 in the Lentil Lectin Complexed with Sucrose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lentil Lectin Complexed with Sucrose within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:15.0 occ:1.00 O C:HOH607 2.3 15.2 1.0 OD1 C:ASP121 2.3 15.6 1.0 OD1 C:ASN125 2.3 17.9 1.0 OD2 C:ASP129 2.4 15.6 1.0 O C:HOH608 2.4 13.0 1.0 O C:PHE123 2.4 16.9 1.0 OD2 C:ASP121 2.5 13.6 1.0 CG C:ASP121 2.8 15.6 1.0 CG C:ASP129 3.5 21.3 1.0 CG C:ASN125 3.5 15.9 1.0 C C:PHE123 3.6 17.1 1.0 OD1 C:ASP129 3.9 18.4 1.0 N C:ASN125 4.1 18.4 1.0 CB C:ASN125 4.1 17.0 1.0 MN C:MN202 4.2 17.9 1.0 CB C:ASP121 4.3 11.8 1.0 NE1 C:TRP128 4.4 11.1 1.0 CA C:PHE123 4.4 16.0 1.0 N C:PHE123 4.4 17.4 1.0 O C:HOH609 4.5 14.6 1.0 CB C:PHE123 4.6 14.0 1.0 N C:TYR124 4.6 16.6 1.0 O C:GLY99 4.6 14.6 1.0 ND2 C:ASN125 4.6 14.2 1.0 CA C:TYR124 4.7 16.3 1.0 O C:ASP81 4.7 11.3 1.0 CD2 C:PHE123 4.7 16.4 1.0 C C:TYR124 4.7 17.4 1.0 CA C:ASN125 4.7 17.3 1.0 CB C:ASP129 4.8 19.0 1.0 CA C:GLY99 4.9 10.4 1.0 OD1 C:ASP81 4.9 18.4 1.0 CE1 C:HIS136 4.9 16.8 1.0

F.Casset, T.Hamelryck, R.Loris, J.R.Brisson, C.Tellier, M.H.Dao-Thi, L.Wyns, F.Poortmans, S.Perez, A.Imberty. uc(Nmr), Molecular Modeling, and Crystallographic Studies of Lentil Lectin-Sucrose Interaction. J.Biol.Chem. V. 270 25619 1995.
ISSN: ISSN 0021-9258
PubMed: 7592736
DOI: 10.1074/JBC.270.43.25619