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Nickel in PDB 6zyk: Non-Heme Monooxygenase, Thoj-Ni Complex

Protein crystallography data

The structure of Non-Heme Monooxygenase, Thoj-Ni Complex, PDB code: 6zyk was solved by J.Koehnke, A.Sikandar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.86 / 2.55
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.753, 80.753, 129.714, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 23.8

Nickel Binding Sites:

The binding sites of Nickel atom in the Non-Heme Monooxygenase, Thoj-Ni Complex (pdb code 6zyk). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Non-Heme Monooxygenase, Thoj-Ni Complex, PDB code: 6zyk:

Nickel binding site 1 out of 1 in 6zyk

Go back to Nickel Binding Sites List in 6zyk
Nickel binding site 1 out of 1 in the Non-Heme Monooxygenase, Thoj-Ni Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Non-Heme Monooxygenase, Thoj-Ni Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni301

b:54.7
occ:1.00
NE2 A:HIS108 2.0 49.9 1.0
O1 A:TLA302 2.1 50.3 1.0
O A:HOH404 2.1 54.1 1.0
OD1 A:ASP110 2.3 50.6 1.0
NE2 A:HIS198 2.3 48.8 1.0
O11 A:TLA302 2.4 50.0 1.0
C1 A:TLA302 2.5 49.7 1.0
CE1 A:HIS108 2.9 48.3 1.0
CD2 A:HIS108 3.1 50.8 1.0
CE1 A:HIS198 3.2 49.5 1.0
CD2 A:HIS198 3.3 48.0 1.0
CG A:ASP110 3.4 55.7 1.0
C2 A:TLA302 4.0 48.8 1.0
ND1 A:HIS108 4.1 50.3 1.0
OD2 A:ASP110 4.1 53.6 1.0
CG A:HIS108 4.2 51.1 1.0
ND1 A:HIS198 4.3 49.1 1.0
CG A:HIS198 4.4 48.5 1.0
CA A:ASP110 4.5 62.5 1.0
CB A:ASP110 4.5 59.9 1.0
O3 A:TLA302 4.5 44.2 1.0
C3 A:TLA302 4.5 45.4 1.0
N A:ASP110 4.5 60.0 1.0
O2 A:TLA302 4.9 48.1 1.0

Reference:

A.Sikandar, M.Lopatniuk, A.Luzhetskyy, J.Koehnke. Non-Heme Monooxygenase Thoj Catalyzes Thioholgamide Beta-Hydroxylation. Acs Chem.Biol. V. 15 2815 2020.
ISSN: ESSN 1554-8937
PubMed: 32965102
DOI: 10.1021/ACSCHEMBIO.0C00637
Page generated: Wed Dec 16 01:59:05 2020

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