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

Protein crystallography data

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

Other elements in 4qup:

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

Cobalt Binding Sites:

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 4qup

Go back to Cobalt Binding Sites List in 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

Reference:

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.
Page generated: Sun Dec 13 10:45:39 2020

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