Cobalt in PDB 2dtr: Structure of Diphtheria Toxin Repressor

The structure of Structure of Diphtheria Toxin Repressor, PDB code: 2dtr was solved by X.Qiu, E.Pohl, W.G.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.900, 63.900, 109.300, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / n/a

The binding sites of Cobalt atom in the Structure of Diphtheria Toxin Repressor (pdb code 2dtr). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Structure of Diphtheria Toxin Repressor, PDB code: 2dtr:

Cobalt binding site 1 out of 1 in the Structure of Diphtheria Toxin Repressor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Structure of Diphtheria Toxin Repressor within 5.0Å range: probe atom residue distance (Å) B Occ A:Co291 b:18.0 occ:1.00 ND1 A:HIS98 2.0 19.6 1.0 OE2 A:GLU83 2.0 13.9 1.0 O4 A:SO4290 2.1 33.0 1.0 NE2 A:HIS79 2.2 17.9 1.0 CE1 A:HIS98 2.7 16.9 1.0 CD A:GLU83 2.9 14.1 1.0 CE1 A:HIS79 3.0 15.8 1.0 S A:SO4290 3.1 31.9 1.0 O3 A:SO4290 3.2 37.5 1.0 CG A:HIS98 3.2 21.1 1.0 CD2 A:HIS79 3.3 17.6 1.0 OE1 A:GLU83 3.3 15.6 1.0 O2 A:SO4290 3.7 33.7 1.0 CB A:HIS98 3.8 19.3 1.0 O A:HOH303 3.8 15.9 1.0 NE2 A:HIS98 3.9 17.2 1.0 CA A:HIS98 4.0 17.0 1.0 CD2 A:PHE128 4.1 18.6 1.0 CG A:GLU83 4.2 12.7 1.0 CD2 A:HIS98 4.2 18.8 1.0 ND1 A:HIS79 4.2 11.6 1.0 CG A:HIS79 4.3 17.6 1.0 O A:HOH407 4.3 52.3 1.0 O1 A:SO4290 4.4 36.4 1.0 CE2 A:PHE128 4.4 16.4 1.0 O A:HOH440 4.5 49.3 1.0 O A:HIS98 4.5 14.0 1.0 C A:HIS98 4.7 17.0 1.0

X.Qiu, E.Pohl, R.K.Holmes, W.G.Hol. High-Resolution Structure of the Diphtheria Toxin Repressor Complexed with Cobalt and Manganese Reveals An SH3-Like Third Domain and Suggests A Possible Role of Phosphate As Co-Corepressor. Biochemistry V. 35 12292 1996.
ISSN: ISSN 0006-2960
PubMed: 8823163
DOI: 10.1021/BI960861D