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

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

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 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

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