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

Protein crystallography data

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

Other elements in 4qur:

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

Cobalt Binding Sites:

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 4qur

Go back to Cobalt Binding Sites List in 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

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 10:45:41 2020

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