Calcium in PDB 2cy6: Crystal Structure of Conm in Complex with Trehalose and Maltose

The structure of Crystal Structure of Conm in Complex with Trehalose and Maltose, PDB code: 2cy6 was solved by B.S.Cavada, W.F.Azevedo Jr., P.Delatorre, B.A.M.Rocha, E.P.Souza, C.A.A.Gadelha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.96 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.033, 97.332, 71.086, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.9

The structure of Crystal Structure of Conm in Complex with Trehalose and Maltose also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Conm in Complex with Trehalose and Maltose (pdb code 2cy6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Conm in Complex with Trehalose and Maltose, PDB code: 2cy6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Conm in Complex with Trehalose and Maltose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Conm in Complex with Trehalose and Maltose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:18.5 occ:1.00 O A:TYR12 2.3 23.7 1.0 O A:HOH5681 2.3 13.4 1.0 O A:HOH5688 2.4 16.9 1.0 OD1 A:ASN14 2.4 24.4 1.0 OD1 A:ASP10 2.4 15.5 1.0 OD2 A:ASP19 2.4 21.9 1.0 OD2 A:ASP10 2.4 15.7 1.0 CG A:ASP10 2.8 15.3 1.0 C A:TYR12 3.5 23.4 1.0 CG A:ASN14 3.5 28.3 1.0 CG A:ASP19 3.5 25.7 1.0 N A:ASN14 3.9 27.5 1.0 OD1 A:ASP19 3.9 17.9 1.0 CB A:ASN14 4.1 26.8 1.0 MN A:MN240 4.1 20.4 1.0 CB A:ASP10 4.2 17.2 1.0 CA A:TYR12 4.3 23.4 1.0 CB A:TYR12 4.4 24.2 1.0 O A:HOH5774 4.4 17.8 1.0 N A:TYR12 4.4 21.9 1.0 CB A:ARG228 4.4 19.3 1.0 N A:PRO13 4.4 25.0 1.0 OD2 A:ASP208 4.5 18.1 1.0 CE1 A:HIS24 4.5 14.5 1.0 CA A:PRO13 4.5 26.2 1.0 O A:ARG228 4.6 20.3 1.0 CA A:ARG228 4.6 20.0 1.0 O A:ASP208 4.6 18.3 1.0 O6 A:TRE5676 4.6 46.9 1.0 ND2 A:ASN14 4.6 23.2 1.0 C A:PRO13 4.6 26.9 1.0 CA A:ASN14 4.7 27.6 1.0 CB A:ASP19 4.8 25.0 1.0 NE2 A:HIS24 4.9 17.1 1.0 CD2 A:TYR12 4.9 26.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Conm in Complex with Trehalose and Maltose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Conm in Complex with Trehalose and Maltose within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1003 b:19.0 occ:1.00 O D:TYR12 2.3 23.1 1.0 O D:HOH4693 2.3 15.9 1.0 OD2 D:ASP19 2.3 23.6 1.0 OD1 D:ASP10 2.4 20.8 1.0 OD2 D:ASP10 2.4 19.9 1.0 OD1 D:ASN14 2.4 22.6 1.0 O D:HOH4700 2.5 21.2 1.0 CG D:ASP10 2.8 20.6 1.0 C D:TYR12 3.5 22.9 1.0 CG D:ASP19 3.5 25.5 1.0 CG D:ASN14 3.6 29.7 1.0 OD1 D:ASP19 3.9 18.4 1.0 N D:ASN14 4.0 28.1 1.0 MN D:MN240 4.1 22.3 1.0 CB D:ASN14 4.3 29.0 1.0 CB D:ASP10 4.3 17.3 1.0 CA D:TYR12 4.4 23.1 1.0 O D:HOH4742 4.4 24.9 1.0 N D:PRO13 4.4 24.2 1.0 N D:TYR12 4.5 21.5 1.0 CB D:ARG228 4.5 24.9 1.0 CA D:PRO13 4.5 24.8 1.0 CE1 D:HIS24 4.5 21.7 1.0 CB D:TYR12 4.6 23.8 1.0 O D:ASP208 4.6 18.5 1.0 C D:PRO13 4.6 26.6 1.0 CA D:ARG228 4.6 24.7 1.0 O D:ARG228 4.6 23.8 1.0 ND2 D:ASN14 4.6 22.7 1.0 OD2 D:ASP208 4.6 18.7 1.0 CB D:ASP19 4.7 28.5 1.0 CA D:ASN14 4.7 29.9 1.0 CD2 D:TYR12 4.8 25.1 1.0 NE2 D:HIS24 4.8 18.3 1.0

P.Delatorre, B.A.M.Rocha, C.A.A.Gadelha, T.Santi-Gadelha, J.B.Cajazeiras, E.P.Souza, K.S.Nascimento, V.N.Freire, A.H.Sampaio, W.F.Azevedo Jr., B.S.Cavada. Crystal Structure of A Lectin From Canavalia Maritima (Conm) in Complex with Trehalose and Maltose Reveals Relevant Mutation in Cona-Like Lectins J.Struct.Biol. V. 154 280 2006.
ISSN: ISSN 1047-8477
PubMed: 16677825
DOI: 10.1016/J.JSB.2006.03.011