Calcium in PDB 1nae: Structure of CSCBM6-3 From Clostridium Stercorarium in Complex with Xylotriose

The structure of Structure of CSCBM6-3 From Clostridium Stercorarium in Complex with Xylotriose, PDB code: 1nae was solved by A.B.Boraston, V.Notenboom, R.A.J.Warren, D.G.Kilburn, D.R.Rose, G.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.04 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	29.648, 49.746, 36.082, 90.00, 93.18, 90.00
R / Rfree (%)	13.5 / 19.5

The binding sites of Calcium atom in the Structure of CSCBM6-3 From Clostridium Stercorarium in Complex with Xylotriose (pdb code 1nae). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of CSCBM6-3 From Clostridium Stercorarium in Complex with Xylotriose, PDB code: 1nae:

Calcium binding site 1 out of 1 in the Structure of CSCBM6-3 From Clostridium Stercorarium in Complex with Xylotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of CSCBM6-3 From Clostridium Stercorarium in Complex with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca900 b:27.3 occ:1.00 OE1 A:GLN30 2.2 13.2 1.0 O A:SER52 2.3 16.4 1.0 O A:ASP142 2.4 15.5 1.0 OD1 A:ASP142 2.4 15.1 1.0 OE1 A:GLU32 2.5 15.9 1.0 OE2 A:GLU32 2.8 18.9 1.0 O A:HOH992 3.0 28.5 1.0 CD A:GLU32 3.0 16.5 1.0 C A:ASP142 3.2 15.3 1.0 CD A:GLN30 3.4 17.4 1.0 C A:SER52 3.4 16.5 1.0 CG A:ASP142 3.6 15.4 1.0 CA A:ASP142 3.6 14.8 1.0 O A:HOH988 3.7 29.6 1.0 CB A:GLN30 4.0 16.0 1.0 N A:SER52 4.1 17.3 1.0 CG A:GLN30 4.2 14.9 1.0 CB A:ASP142 4.2 14.6 1.0 N A:ALA53 4.3 15.3 1.0 CA A:ALA53 4.3 16.1 1.0 N A:ALA31 4.3 15.2 1.0 CA A:GLN30 4.3 15.7 1.0 N A:TRP143 4.4 14.9 1.0 CA A:SER52 4.4 17.0 1.0 NE2 A:GLN30 4.5 19.2 1.0 CG A:GLU32 4.5 17.1 1.0 OD2 A:ASP142 4.5 16.1 1.0 CB A:TRP143 4.7 13.6 1.0 C A:GLN30 4.8 15.9 1.0 CA A:TRP143 4.9 14.7 1.0 CD1 A:LEU47 4.9 17.3 1.0 CD1 A:TRP143 4.9 19.5 1.0 O A:VAL141 4.9 14.7 1.0 N A:ASP142 4.9 13.8 1.0 N A:GLU32 5.0 14.7 1.0 CB A:ALA53 5.0 15.3 1.0

A.B.Boraston, V.Notenboom, R.A.J.Warren, D.G.Kilburn, D.R.Rose, G.Davies. Structure and Ligand Binding of Carbohydrate-Binding Module CSCBM6-3 Reveals Similarities with Fucose-Specific Lectins and "Galactose-Binding" Domains J.Mol.Biol. V. 327 659 2003.
ISSN: ISSN 0022-2836
PubMed: 12634060
DOI: 10.1016/S0022-2836(03)00152-9