Nickel in PDB 4xaa: Crystal Structure of AVIO1 From Streptomyces Viridochromogenes TUE57

The structure of Crystal Structure of AVIO1 From Streptomyces Viridochromogenes TUE57, PDB code: 4xaa was solved by K.M.Mcculloch, E.K.Mccranie, M.Sarwar, J.L.Mathieu, B.L.Gitschlag, Y.Du, B.O.Bachmann, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.06 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.119, 115.144, 33.864, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.1

The binding sites of Nickel atom in the Crystal Structure of AVIO1 From Streptomyces Viridochromogenes TUE57 (pdb code 4xaa). 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 Crystal Structure of AVIO1 From Streptomyces Viridochromogenes TUE57, PDB code: 4xaa:

Nickel binding site 1 out of 1 in the Crystal Structure of AVIO1 From Streptomyces Viridochromogenes TUE57


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of AVIO1 From Streptomyces Viridochromogenes TUE57 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni301 b:58.2 occ:1.00 O A:HOH426 2.2 37.1 1.0 NE2 A:HIS196 2.2 39.8 1.0 NE2 A:HIS125 2.3 35.1 1.0 OD1 A:ASP127 2.3 39.6 1.0 O A:HOH440 2.4 46.8 1.0 O A:HOH429 2.6 41.7 1.0 CE1 A:HIS125 3.0 36.2 1.0 CG A:ASP127 3.1 39.2 1.0 CE1 A:HIS196 3.2 35.6 1.0 CD2 A:HIS196 3.2 36.5 1.0 OD2 A:ASP127 3.2 41.5 1.0 CD2 A:HIS125 3.4 35.5 1.0 ND1 A:HIS125 4.2 40.2 1.0 ND1 A:HIS196 4.3 39.2 1.0 CG A:HIS196 4.4 41.1 1.0 CG A:HIS125 4.4 42.6 1.0 CB A:ASP127 4.5 39.3 1.0 NE2 A:HIS190 4.6 43.3 1.0 CA A:ASP127 5.0 38.8 1.0

K.M.Mcculloch, E.K.Mccranie, J.A.Smith, M.Sarwar, J.L.Mathieu, B.L.Gitschlag, Y.Du, B.O.Bachmann, T.M.Iverson. Oxidative Cyclizations in Orthosomycin Biosynthesis Expand the Known Chemistry of An Oxygenase Superfamily. Proc.Natl.Acad.Sci.Usa V. 112 11547 2015.
ISSN: ESSN 1091-6490
PubMed: 26240321
DOI: 10.1073/PNAS.1500964112