Nickel in PDB 4xkn: Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni(L-His)2 (Co-Crystallization with Ni(II) and L-Histidine)

The structure of Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni(L-His)2 (Co-Crystallization with Ni(II) and L-Histidine), PDB code: 4xkn was solved by H.Lebrette, C.Cavazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.76 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.490, 67.200, 115.530, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 19.2

The binding sites of Nickel atom in the Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni(L-His)2 (Co-Crystallization with Ni(II) and L-Histidine) (pdb code 4xkn). 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 Nika From Staphylococcus Aureus in Complex with Ni(L-His)2 (Co-Crystallization with Ni(II) and L-Histidine), PDB code: 4xkn:

Nickel binding site 1 out of 1 in the Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni(L-His)2 (Co-Crystallization with Ni(II) and L-Histidine)


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 Nika From Staphylococcus Aureus in Complex with Ni(L-His)2 (Co-Crystallization with Ni(II) and L-Histidine) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni501 b:11.8 occ:1.00 ND1 A:HIS502 2.1 10.1 1.0 ND1 A:HIS503 2.1 15.5 1.0 N A:HIS502 2.1 11.1 1.0 OXT A:HIS503 2.1 10.4 1.0 N A:HIS503 2.1 9.3 1.0 O A:HIS502 2.2 11.5 1.0 C A:HIS503 2.8 11.8 1.0 C A:HIS502 2.9 13.4 1.0 CA A:HIS502 2.9 10.2 1.0 CA A:HIS503 2.9 9.4 1.0 CE1 A:HIS502 3.0 15.7 1.0 CE1 A:HIS503 3.0 14.7 1.0 CG A:HIS502 3.1 12.2 1.0 CG A:HIS503 3.2 16.3 1.0 CB A:HIS502 3.5 8.9 1.0 CB A:HIS503 3.5 11.8 1.0 O A:HIS503 4.0 14.1 1.0 OXT A:HIS502 4.1 13.1 1.0 NE2 A:HIS502 4.1 14.7 1.0 NE2 A:HIS503 4.2 13.5 1.0 CD2 A:HIS502 4.2 12.2 1.0 O A:SER370 4.2 10.8 1.0 CD2 A:HIS503 4.2 13.2 1.0 NH2 A:ARG325 4.3 10.4 1.0 NH1 A:ARG234 4.6 13.1 1.0 CD1 A:PHE371 4.6 10.6 1.0 OH A:TYR369 4.8 11.2 1.0 CD1 A:LEU17 4.8 16.5 1.0 O A:HOH848 4.9 18.4 1.0 NH2 A:ARG234 4.9 11.6 1.0 O A:HOH849 4.9 25.0 1.0

H.Lebrette, E.Borezee-Durant, L.Martin, P.Richaud, E.Boeri Erba, C.Cavazza. Novel Insights Into Nickel Import in Staphylococcus Aureus: Positive Role of Free Histidine and Structural Characterization of A New Thiazolidine-Type Nickel Chelator To Be Published.