Sodium in PDB 4xkr: Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni-(L-His)(2-Methyl-Thiazolidine Dicarboxylate) (Co-Crystallization with Ni(II) and Cddeltahis Medium Supernatant)

The structure of Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni-(L-His)(2-Methyl-Thiazolidine Dicarboxylate) (Co-Crystallization with Ni(II) and Cddeltahis Medium Supernatant), PDB code: 4xkr 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)	45.54 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.803, 67.373, 115.566, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.3

The structure of Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni-(L-His)(2-Methyl-Thiazolidine Dicarboxylate) (Co-Crystallization with Ni(II) and Cddeltahis Medium Supernatant) also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Sodium atom in the Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni-(L-His)(2-Methyl-Thiazolidine Dicarboxylate) (Co-Crystallization with Ni(II) and Cddeltahis Medium Supernatant) (pdb code 4xkr). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni-(L-His)(2-Methyl-Thiazolidine Dicarboxylate) (Co-Crystallization with Ni(II) and Cddeltahis Medium Supernatant), PDB code: 4xkr:

Sodium binding site 1 out of 1 in the Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni-(L-His)(2-Methyl-Thiazolidine Dicarboxylate) (Co-Crystallization with Ni(II) and Cddeltahis Medium Supernatant)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Nika From Staphylococcus Aureus in Complex with Ni-(L-His)(2-Methyl-Thiazolidine Dicarboxylate) (Co-Crystallization with Ni(II) and Cddeltahis Medium Supernatant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na523 b:34.1 occ:1.00 O3 A:GOL522 2.7 20.3 1.0 O A:HOH813 2.7 15.3 1.0 OE2 A:GLU355 2.8 20.1 1.0 N A:41K503 2.9 12.2 1.0 C3 A:GOL522 3.3 22.9 1.0 CD A:GLU355 3.3 19.9 1.0 CG A:GLU355 3.3 19.1 1.0 ND1 A:HIS502 3.5 13.3 1.0 CA A:41K503 3.5 14.3 1.0 CE1 A:HIS502 3.7 13.7 1.0 OH A:TYR369 3.8 15.3 1.0 CG A:HIS502 3.8 12.6 1.0 CAB A:41K503 3.9 13.3 1.0 CAF A:41K503 4.0 12.6 1.0 NE2 A:HIS502 4.1 13.2 1.0 N A:HIS502 4.1 11.9 1.0 NI A:NI501 4.1 12.4 1.0 CB A:41K503 4.1 20.4 1.0 O A:HOH940 4.1 32.8 1.0 CD2 A:HIS502 4.2 13.8 1.0 O A:HOH879 4.3 24.6 1.0 OE1 A:GLU355 4.3 21.3 1.0 CE A:LYS395 4.4 16.8 1.0 CB A:HIS502 4.4 11.6 1.0 NZ A:LYS395 4.5 16.8 1.0 C2 A:GOL522 4.6 25.2 1.0 CB A:GLU355 4.6 18.3 1.0 O2 A:GOL522 4.7 25.1 1.0 C A:41K503 4.8 15.8 1.0 O A:HOH883 4.8 23.4 1.0 SAK A:41K503 4.9 19.8 1.0 CA A:HIS502 4.9 12.7 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.