Nickel in PDB 4ofj: Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni(L-His)2

The structure of Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni(L-His)2, PDB code: 4ofj 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)	45.69 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.900, 67.720, 115.650, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 18.5

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

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni501 b:17.0 occ:0.80 N A:HIS502 2.1 18.7 1.0 O A:HIS503 2.1 16.5 0.8 ND1 A:HIS502 2.1 18.7 1.0 OXT A:HIS502 2.1 16.2 1.0 ND1 A:HIS503 2.2 22.3 0.8 N A:HIS503 2.2 17.1 0.8 C A:HIS503 2.8 27.2 0.8 C A:HIS502 2.8 16.4 1.0 CA A:HIS502 2.8 16.1 1.0 CA A:HIS503 2.8 27.6 0.8 CE1 A:HIS502 3.1 22.2 1.0 CE1 A:HIS503 3.1 29.7 0.8 CG A:HIS502 3.1 18.0 1.0 CG A:HIS503 3.2 31.4 0.8 CB A:HIS502 3.5 13.9 1.0 CB A:HIS503 3.5 32.5 0.8 OXT A:HIS503 4.0 31.7 0.8 O A:HIS502 4.0 12.9 1.0 NE2 A:HIS502 4.2 23.1 1.0 CD2 A:HIS502 4.2 18.7 1.0 NE2 A:HIS503 4.2 29.1 0.8 NH2 A:ARG325 4.2 16.1 1.0 O A:SER370 4.3 14.0 1.0 CD2 A:HIS503 4.3 26.5 0.8 CD1 A:PHE371 4.4 11.9 0.5 NH1 A:ARG234 4.4 17.3 1.0 NH2 A:ARG234 4.6 24.1 1.0 CD1 A:LEU17 4.8 24.2 1.0 OH A:TYR369 4.8 21.1 1.0 CE1 A:PHE371 4.9 25.6 0.5 CZ A:ARG234 5.0 22.0 1.0

H.Lebrette, E.Borezee-Durant, L.Martin, P.Richaud, E.Boeri Erba, C.Cavazza. Novel Insights Into Nickel Import in Staphylococcus Aureus: the Positive Role of Free Histidine and Structural Characterization of A New Thiazolidine-Type Nickel Chelator. Metallomics 2015.
ISSN: ESSN 1756-591X
PubMed: 25611161
DOI: 10.1039/C4MT00295D