Nickel in PDB 5j4r: WELO5 Small Molecule Halogenase with Ni(II) and 2-Oxoglutarate

The structure of WELO5 Small Molecule Halogenase with Ni(II) and 2-Oxoglutarate, PDB code: 5j4r was solved by M.A.Mcdonough, E.Gallimore, I.J.Clifton, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.98 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	52.030, 102.770, 123.980, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 16

The binding sites of Nickel atom in the WELO5 Small Molecule Halogenase with Ni(II) and 2-Oxoglutarate (pdb code 5j4r). 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 WELO5 Small Molecule Halogenase with Ni(II) and 2-Oxoglutarate, PDB code: 5j4r:

Nickel binding site 1 out of 1 in the WELO5 Small Molecule Halogenase with Ni(II) and 2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of WELO5 Small Molecule Halogenase with Ni(II) and 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni302 b:20.9 occ:1.00 NE2 A:HIS164 2.1 18.6 1.0 O1 A:AKG301 2.1 18.2 1.0 NE2 A:HIS259 2.1 15.5 1.0 O5 A:AKG301 2.1 19.6 1.0 O A:HOH521 2.1 19.0 1.0 O A:HOH571 2.1 16.4 1.0 C2 A:AKG301 2.8 22.8 1.0 C1 A:AKG301 2.8 20.3 1.0 CE1 A:HIS164 3.0 20.0 1.0 CE1 A:HIS259 3.1 16.0 1.0 CD2 A:HIS259 3.1 17.0 1.0 CD2 A:HIS164 3.1 17.5 1.0 O A:HOH584 3.9 36.6 1.0 O2 A:AKG301 4.1 20.3 1.0 ND1 A:HIS164 4.1 22.7 1.0 ND1 A:HIS259 4.2 16.9 1.0 OG A:SER189 4.2 18.1 1.0 CG A:HIS164 4.2 18.3 1.0 CG A:HIS259 4.2 16.2 1.0 O A:HOH616 4.3 22.2 1.0 C3 A:AKG301 4.3 22.9 1.0 O A:HOH462 4.3 16.2 1.0 O A:HOH604 4.4 25.9 1.0 O A:HOH633 4.4 19.1 1.0 CE1 A:PHE276 4.5 17.8 1.0

E.Gallimore, M.A.Mcdonough, I.J.Clifton, C.J.Schofield. WELO5 Small Molecule Halogenase with Ni(II) and 2-Oxoglutarate To Be Published.