Nickel in PDB 4awx: Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo

The structure of Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo, PDB code: 4awx was solved by K.-W.Hung, J.-Y.Tsai, T.-H.Juan, Y.-L.Hsu, C.D.Hsiao, T.-H.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.52 / 2.30
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	59.690, 59.690, 141.140, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 22.1

The binding sites of Nickel atom in the Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo (pdb code 4awx). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo, PDB code: 4awx:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1262 b:65.1 occ:1.00 NE2 A:HIS243 2.3 42.2 1.0 O A:HOH2102 2.5 52.7 1.0 O A:HOH2092 2.6 47.6 1.0 O A:HOH2103 2.6 68.7 1.0 O A:HOH2093 2.6 69.0 1.0 CD2 A:HIS243 3.2 38.1 1.0 CE1 A:HIS243 3.4 38.1 1.0 CG A:HIS243 4.4 38.1 1.0 CD1 A:ILE237 4.4 46.9 1.0 ND1 A:HIS243 4.4 40.0 1.0 OD1 A:ASP238 4.4 53.8 1.0 CG2 A:ILE237 4.7 47.7 1.0 CE B:MET5 4.9 51.4 1.0

Nickel binding site 2 out of 3 in the Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1263 b:75.9 occ:1.00 NE2 A:HIS50 2.2 56.9 1.0 O A:HOH2029 2.4 71.6 1.0 O A:HOH2028 2.5 76.9 1.0 O A:HOH2104 2.6 68.7 1.0 CD2 A:HIS50 3.2 57.5 1.0 CE1 A:HIS50 3.2 57.9 1.0 ND1 A:HIS50 4.3 57.4 1.0 CG A:HIS50 4.3 57.8 1.0

Nickel binding site 3 out of 3 in the Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Moonlighting Functions of Feoc in the Regulation of Ferrous Iron Transport in Feo within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1264 b:42.1 occ:1.00 NE2 A:HIS79 2.2 40.0 1.0 O A:HOH2105 2.3 63.0 1.0 CE1 A:HIS79 2.4 39.8 1.0 O A:HOH2106 3.1 74.1 1.0 CD2 A:HIS79 3.5 38.7 1.0 ND1 A:HIS79 3.7 40.1 1.0 CG A:HIS79 4.2 37.7 1.0 O A:HOH2001 4.6 43.3 1.0 OH A:TYR214 5.0 39.5 1.0

K.-W.Hung, J.-Y.Tsai, T.-H.Juan, C.D.Hsiao, T.-H.Huang. Crystal Structure of the Klebsiella Pneumoniae Nfeob/Feoc Complex and Roles of Feoc in Regulation of FE2+ Transport By the Bacterial Feo System. J.Bacteriol. V. 194 6518 2012.
ISSN: ISSN 0021-9193
PubMed: 23024345
DOI: 10.1128/JB.01228-12