Calcium in PDB 1nbw: Glycerol Dehydratase Reactivase

The structure of Glycerol Dehydratase Reactivase, PDB code: 1nbw was solved by D.-I.Liao, L.Reiss, I.Turner Jr., G.Dotson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.000, 110.000, 332.200, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 27.1

The binding sites of Calcium atom in the Glycerol Dehydratase Reactivase (pdb code 1nbw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Glycerol Dehydratase Reactivase, PDB code: 1nbw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Glycerol Dehydratase Reactivase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Glycerol Dehydratase Reactivase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca650 b:26.1 occ:1.00 OD2 C:ASP185 2.1 39.0 1.0 O C:THR104 2.3 25.9 1.0 OG1 C:THR104 2.3 28.2 1.0 OD1 C:ASP168 2.3 27.9 1.0 O C:HOH757 2.4 28.9 1.0 OE2 D:GLU31 2.5 31.8 1.0 CG C:ASP185 3.1 37.2 1.0 C C:THR104 3.2 24.8 1.0 CB C:THR104 3.3 27.1 1.0 CG C:ASP168 3.4 29.1 1.0 CD D:GLU31 3.4 31.8 1.0 CA C:THR104 3.7 26.7 1.0 CG D:GLU31 3.7 30.4 1.0 CB C:ASP185 3.8 30.9 1.0 OD1 C:ASP185 4.1 41.4 1.0 OD2 C:ASP168 4.1 31.3 1.0 N C:THR104 4.2 28.2 1.0 O C:ASP168 4.2 28.4 1.0 C C:ASP168 4.2 27.7 1.0 N C:GLY170 4.2 25.6 1.0 N C:PRO105 4.3 23.5 1.0 CA C:ASP168 4.3 27.3 1.0 CB C:ASP168 4.5 26.9 1.0 OE1 C:GLU186 4.5 35.2 1.0 CG2 C:VAL171 4.6 25.7 1.0 OE1 D:GLU31 4.6 33.7 1.0 CG2 C:THR104 4.6 25.2 1.0 N C:VAL171 4.6 24.5 1.0 N C:ASP169 4.7 28.4 1.0 CA C:GLY170 4.7 25.2 1.0 CA C:PRO105 4.7 22.7 1.0 CG C:GLU186 4.9 33.8 1.0 CD C:GLU186 4.9 36.3 1.0 O D:GLU31 5.0 27.1 1.0

Calcium binding site 2 out of 2 in the Glycerol Dehydratase Reactivase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Glycerol Dehydratase Reactivase within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca650 b:20.7 occ:1.00 OD2 A:ASP185 2.0 28.9 1.0 OD1 A:ASP168 2.1 21.4 1.0 OE2 B:GLU31 2.2 20.0 1.0 OG1 A:THR104 2.3 19.8 1.0 O A:THR104 2.3 19.9 1.0 O A:HOH656 2.5 20.1 1.0 CG A:ASP185 3.2 27.8 1.0 C A:THR104 3.2 21.4 1.0 CD B:GLU31 3.2 19.8 1.0 CB A:THR104 3.2 23.2 1.0 CG A:ASP168 3.4 25.1 1.0 CG B:GLU31 3.6 19.2 1.0 CA A:THR104 3.7 23.6 1.0 CB A:ASP185 3.8 24.9 1.0 OD2 A:ASP168 4.1 21.3 1.0 OD1 A:ASP185 4.1 33.1 1.0 C A:ASP168 4.2 24.2 1.0 N A:GLY170 4.2 19.8 1.0 N A:THR104 4.2 26.6 1.0 O A:ASP168 4.2 25.3 1.0 OE1 A:GLU186 4.3 29.7 1.0 CA A:ASP168 4.3 25.3 1.0 N A:PRO105 4.3 21.4 1.0 OE1 B:GLU31 4.4 18.6 1.0 CB A:ASP168 4.4 23.8 1.0 N A:VAL171 4.5 20.0 1.0 CG2 A:THR104 4.6 20.2 1.0 CA A:GLY170 4.6 19.4 1.0 N A:ASP169 4.6 23.9 1.0 CA A:PRO105 4.7 20.1 1.0 CG2 A:VAL171 4.9 17.5 1.0 O B:GLU31 4.9 26.1 1.0

D.-I.Liao, L.Reiss, I.Turner Jr., G.Dotson. Structure of Glycerol Dehydratase Reactivase: A New Type of Molecular Chaperone Structure V. 11 109 2003.
ISSN: ISSN 0969-2126
PubMed: 12517345
DOI: 10.1016/S0969-2126(02)00935-8