Calcium in PDB 3gw6: Intramolecular Chaperone

All present enzymatic activity of Intramolecular Chaperone:
3.2.1.129;

The structure of Intramolecular Chaperone, PDB code: 3gw6 was solved by E.C.Schulz, A.Dickmanns, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.63 / 2.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	62.650, 79.950, 109.580, 81.71, 76.53, 87.11
R / Rfree (%)	20.9 / 25.5

The structure of Intramolecular Chaperone also contains other interesting chemical elements:

Bromine	(Br)	6 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Calcium atom in the Intramolecular Chaperone (pdb code 3gw6). 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 Intramolecular Chaperone, PDB code: 3gw6:

Calcium binding site 1 out of 1 in the Intramolecular Chaperone


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Intramolecular Chaperone within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca1 b:44.8 occ:1.00 N F:PHE955 3.4 56.8 1.0 O F:HOH87 3.5 68.1 1.0 O F:HOH324 3.6 57.8 1.0 N B:VAL983 3.7 40.7 1.0 CA B:VAL983 3.9 39.6 1.0 CA B:GLY1038 3.9 41.2 1.0 CA F:HIS954 4.0 64.1 1.0 CD B:ARG1035 4.0 47.4 1.0 C B:ALA982 4.1 49.5 1.0 CB B:VAL983 4.1 39.4 1.0 CB B:ALA982 4.2 50.1 1.0 C F:HIS954 4.2 63.7 1.0 O F:PHE955 4.3 55.4 1.0 CB F:PHE955 4.3 56.1 1.0 CA F:PHE955 4.3 56.1 1.0 CB F:HIS954 4.3 63.1 1.0 CG F:PHE955 4.4 55.8 1.0 O B:ALA982 4.6 49.2 1.0 CA B:ALA982 4.6 50.4 1.0 NE B:ARG1035 4.6 50.7 1.0 ND1 F:HIS954 4.6 61.9 1.0 CD2 F:PHE955 4.6 54.9 1.0 CB B:ARG1035 4.7 46.9 1.0 N B:GLY1038 4.7 40.9 1.0 C F:PHE955 4.8 55.5 1.0 CG F:HIS954 4.9 61.5 1.0 O F:ILE953 4.9 66.4 1.0 N B:ALA982 4.9 52.3 1.0 CG2 B:VAL983 4.9 36.9 1.0 ND2 A:ASN906 5.0 47.6 1.0 C B:GLY1038 5.0 42.0 1.0 CG B:ARG1035 5.0 47.2 1.0

E.C.Schulz, A.Dickmanns, H.Urlaub, A.Schmitt, M.Muhlenhoff, K.Stummeyer, D.Schwarzer, R.Gerardy-Schahn, R.Ficner. Crystal Structure of An Intramolecular Chaperone Mediating Triple-Beta-Helix Folding. Nat.Struct.Mol.Biol. V. 17 210 2010.
ISSN: ISSN 1545-9993
PubMed: 20118935
DOI: 10.1038/NSMB.1746