Nickel in PDB 3tr6: Structure of A O-Methyltransferase From Coxiella Burnetii

The structure of Structure of A O-Methyltransferase From Coxiella Burnetii, PDB code: 3tr6 was solved by J.Cheung, M.C.Franklin, M.Rudolph, M.Cassidy, E.Gary, F.Burshteyn, J.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.85 / 2.70
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.686, 83.686, 212.910, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24.9

The binding sites of Nickel atom in the Structure of A O-Methyltransferase From Coxiella Burnetii (pdb code 3tr6). 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 Structure of A O-Methyltransferase From Coxiella Burnetii, PDB code: 3tr6:

Nickel binding site 1 out of 1 in the Structure of A O-Methyltransferase From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of A O-Methyltransferase From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni223 b:58.8 occ:1.00 OD2 A:ASP170 2.5 42.1 1.0 ND2 A:ASN171 2.5 43.3 1.0 OD2 A:ASP144 2.6 46.1 1.0 O A:HOH258 3.0 36.3 1.0 OD1 A:ASP144 3.0 35.1 1.0 CG A:ASP144 3.1 33.5 1.0 CG A:ASN171 3.4 49.0 1.0 CG A:ASP170 3.4 41.2 1.0 OD1 A:ASN171 3.5 43.5 1.0 O A:HOH245 3.5 36.0 1.0 O A:MSE43 3.7 41.1 1.0 CB A:ASP170 4.1 33.1 1.0 NZ A:LYS147 4.1 38.5 1.0 OD1 A:ASP170 4.3 41.0 1.0 CB A:ASP144 4.5 30.0 1.0 C A:MSE43 4.6 39.2 1.0 OH A:TYR142 4.7 30.6 1.0 CB A:ASN171 4.8 34.7 1.0 CB A:SAH224 4.8 29.6 1.0 OG1 A:THR45 5.0 29.8 1.0

M.C.Franklin, J.Cheung, M.J.Rudolph, F.Burshteyn, M.Cassidy, E.Gary, B.Hillerich, Z.K.Yao, P.R.Carlier, M.Totrov, J.D.Love. Structural Genomics For Drug Design Against the Pathogen Coxiella Burnetii. Proteins V. 83 2124 2015.
ISSN: ISSN 0887-3585
PubMed: 26033498
DOI: 10.1002/PROT.24841