Nickel in PDB 4wwb: High-Resolution Structure of the Ni-Bound Form of the Y135F Mutant of C. Metallidurans Cnrxs

The structure of High-Resolution Structure of the Ni-Bound Form of the Y135F Mutant of C. Metallidurans Cnrxs, PDB code: 4wwb was solved by A.Volbeda, J.Coves, A.P.Maillard, S.Kuennemann, C.Grosse, G.Schleuder, I.Petit-Haertlein, E.De Rosny, D.H.Nies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.11
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	32.401, 32.401, 195.331, 90.00, 90.00, 90.00
R / Rfree (%)	10.8 / 12.4

The structure of High-Resolution Structure of the Ni-Bound Form of the Y135F Mutant of C. Metallidurans Cnrxs also contains other interesting chemical elements:

Potassium	(K)	1 atom
Chlorine	(Cl)	3 atoms

The binding sites of Nickel atom in the High-Resolution Structure of the Ni-Bound Form of the Y135F Mutant of C. Metallidurans Cnrxs (pdb code 4wwb). 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 High-Resolution Structure of the Ni-Bound Form of the Y135F Mutant of C. Metallidurans Cnrxs, PDB code: 4wwb:

Nickel binding site 1 out of 1 in the High-Resolution Structure of the Ni-Bound Form of the Y135F Mutant of C. Metallidurans Cnrxs


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of High-Resolution Structure of the Ni-Bound Form of the Y135F Mutant of C. Metallidurans Cnrxs within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:2.2 occ:1.00 NE2 A:HIS42 2.0 2.8 1.0 NE2 A:HIS46 2.1 2.5 1.0 NE2 A:HIS119 2.1 2.4 1.0 OE2 A:GLU63 2.1 2.9 1.0 OE1 A:GLU63 2.1 2.7 1.0 CD A:GLU63 2.5 2.4 1.0 SD A:MET123 2.5 3.1 1.0 CE1 A:HIS42 3.0 3.7 1.0 CE1 A:HIS46 3.1 2.7 1.0 CD2 A:HIS119 3.1 2.6 1.0 CD2 A:HIS42 3.1 2.6 1.0 CE1 A:HIS119 3.1 2.3 1.0 CD2 A:HIS46 3.1 2.4 1.0 HE1 A:HIS42 3.1 3.9 1.0 HG2 A:MET123 3.2 2.5 1.0 HD2 A:HIS119 3.2 2.4 1.0 HE1 A:HIS46 3.2 2.6 1.0 HD2 A:HIS42 3.3 2.5 1.0 HD2 A:HIS46 3.3 2.4 1.0 CG A:MET123 3.3 2.5 1.0 HE1 A:HIS119 3.3 2.2 1.0 HE3 A:MET123 3.4 4.8 1.0 HG3 A:MET123 3.4 2.4 1.0 CE A:MET123 3.4 5.5 1.0 HE2 A:MET123 3.6 4.1 1.0 CG A:GLU63 4.0 3.5 1.0 ND1 A:HIS42 4.1 4.8 1.0 O A:HOH311 4.2 7.5 1.0 CG A:HIS42 4.2 3.1 1.0 ND1 A:HIS46 4.2 2.7 1.0 ND1 A:HIS119 4.2 2.4 1.0 CG A:HIS119 4.2 2.6 1.0 CG A:HIS46 4.3 2.4 1.0 HA A:GLU63 4.3 3.5 1.0 HE1 A:MET123 4.3 3.5 1.0 HG2 A:GLU63 4.3 3.1 1.0 HG3 A:GLU63 4.4 3.6 1.0 O1 A:CO2204 4.5 14.6 0.7 HB3 A:GLU63 4.7 3.3 1.0 HD2 A:PHE66 4.7 8.0 1.0 CB A:MET123 4.8 2.4 1.0 CB A:GLU63 4.8 3.8 1.0 HD1 A:HIS42 4.9 3.5 1.0 C A:CO2204 5.0 8.7 0.7 HD1 A:HIS46 5.0 2.5 1.0 HB3 A:MET123 5.0 2.6 1.0

A.P.Maillard, S.Kunnemann, C.Groe, A.Volbeda, G.Schleuder, I.Petit-Hartlein, E.De Rosny, D.H.Nies, J.Coves. Response of Cnrx From Cupriavidus Metallidurans CH34 to Nickel Binding. Metallomics 2015.
ISSN: ESSN 1756-591X
PubMed: 25628016
DOI: 10.1039/C4MT00293H