Cobalt in PDB 4qup: Crystal Structure of Stachydrine Demethylase with N-Methyl Proline From Low X-Ray Dose Composite Datasets

The structure of Crystal Structure of Stachydrine Demethylase with N-Methyl Proline From Low X-Ray Dose Composite Datasets, PDB code: 4qup 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)	34.48 / 1.70
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.746, 97.746, 177.984, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 21.7

The structure of Crystal Structure of Stachydrine Demethylase with N-Methyl Proline From Low X-Ray Dose Composite Datasets also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Cobalt atom in the Crystal Structure of Stachydrine Demethylase with N-Methyl Proline From Low X-Ray Dose Composite Datasets (pdb code 4qup). 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 with N-Methyl Proline From Low X-Ray Dose Composite Datasets, PDB code: 4qup:

Cobalt binding site 1 out of 1 in the Crystal Structure of Stachydrine Demethylase with N-Methyl Proline From Low X-Ray Dose Composite Datasets


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 with N-Methyl Proline From Low X-Ray Dose Composite Datasets within 5.0Å range: probe atom residue distance (Å) B Occ A:Co506 b:20.7 occ:0.49 CO A:NCO506 0.0 20.7 0.5 N2 A:NCO506 2.0 25.4 0.5 N4 A:NCO506 2.0 25.1 0.5 N6 A:NCO506 2.0 23.4 0.6 N5 A:NCO506 2.0 22.0 0.6 N1 A:NCO506 2.0 25.4 0.5 N3 A:NCO506 2.1 23.0 0.6 O A:ASP13 3.8 23.2 1.0 O A:HOH822 3.8 30.8 1.0 O A:ARG15 3.9 21.4 1.0 O A:HOH618 4.1 27.3 1.0 O A:HOH821 4.2 27.4 1.0 O A:LEU12 4.7 23.1 1.0 C A:ASP13 4.8 24.2 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.