Cobalt in PDB 4qur: Crystal Structure of Stachydrine Demethylase in Complex with Cyanide, Oxygen, and N-Methyl Proline in A New Orientation

The structure of Crystal Structure of Stachydrine Demethylase in Complex with Cyanide, Oxygen, and N-Methyl Proline in A New Orientation, PDB code: 4qur was solved by R.Agarwal, B.Andi, A.Gizzi, J.B.Bonanno, S.C.Almo, A.M.Orville, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.57 / 1.76
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.065, 98.065, 178.654, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 22.8

The structure of Crystal Structure of Stachydrine Demethylase in Complex with Cyanide, Oxygen, and N-Methyl Proline in A New Orientation also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Cobalt atom in the Crystal Structure of Stachydrine Demethylase in Complex with Cyanide, Oxygen, and N-Methyl Proline in A New Orientation (pdb code 4qur). 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 Crystal Structure of Stachydrine Demethylase in Complex with Cyanide, Oxygen, and N-Methyl Proline in A New Orientation, PDB code: 4qur:

Cobalt binding site 1 out of 1 in the Crystal Structure of Stachydrine Demethylase in Complex with Cyanide, Oxygen, and N-Methyl Proline in A New Orientation


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Stachydrine Demethylase in Complex with Cyanide, Oxygen, and N-Methyl Proline in A New Orientation within 5.0Å range: probe atom residue distance (Å) B Occ A:Co504 b:18.5 occ:0.50 CO A:NCO504 0.0 18.5 0.5 N6 A:NCO504 2.0 20.4 0.5 N4 A:NCO504 2.0 24.1 0.5 N1 A:NCO504 2.0 21.1 0.5 N2 A:NCO504 2.0 20.9 0.5 N3 A:NCO504 2.0 17.8 0.5 N5 A:NCO504 2.0 18.1 0.5 O A:ASP13 3.8 20.7 1.0 O A:ARG15 3.9 17.8 1.0 O A:HOH818 4.1 25.8 1.0 O A:HOH618 4.4 24.5 1.0 O A:HOH817 4.4 26.5 1.0 O A:LEU12 4.6 19.2 1.0 C A:ASP13 4.7 20.6 1.0

R.Agarwal, B.Andi, A.Gizzi, J.B.Bonanno, S.C.Almo, A.M.Orville. Tracking Photoelectron Induced in-Crystallo Enzyme Catalysis To Be Published.