Nickel in PDB 1fi1: Fhua in Complex with Lipopolysaccharide and Rifamycin CGP4832

The structure of Fhua in Complex with Lipopolysaccharide and Rifamycin CGP4832, PDB code: 1fi1 was solved by A.D.Ferguson, J.Koedding, C.Boes, G.Walker, J.W.Coulton, K.Diederichs, V.Braun, W.Welte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.90
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	172.820, 172.820, 87.910, 90.00, 90.00, 120.00
R / Rfree (%)	23.3 / 27.5

The structure of Fhua in Complex with Lipopolysaccharide and Rifamycin CGP4832 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Sodium	(Na)	1 atom

The binding sites of Nickel atom in the Fhua in Complex with Lipopolysaccharide and Rifamycin CGP4832 (pdb code 1fi1). 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 Fhua in Complex with Lipopolysaccharide and Rifamycin CGP4832, PDB code: 1fi1:

Nickel binding site 1 out of 1 in the Fhua in Complex with Lipopolysaccharide and Rifamycin CGP4832


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Fhua in Complex with Lipopolysaccharide and Rifamycin CGP4832 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1021 b:95.5 occ:1.00 O3 A:PO41016 2.1 91.6 1.0 O4 A:PO41016 2.5 96.9 1.0 P A:PO41016 2.7 98.5 1.0 O2 A:PO41016 3.6 94.0 1.0 O4 A:GMH1011 3.9 97.8 1.0 C4 A:GMH1011 4.2 90.0 1.0 C3 A:GMH1011 4.3 85.7 1.0 C1 A:GLC1017 4.4 90.2 1.0 O5 A:GLC1017 4.4 93.3 1.0 O3 A:GMH1011 4.9 91.1 1.0

A.D.Ferguson, J.Kodding, G.Walker, C.Bos, J.W.Coulton, K.Diederichs, V.Braun, W.Welte. Active Transport of An Antibiotic Rifamycin Derivative By the Outer-Membrane Protein Fhua. Structure V. 9 707 2001.
ISSN: ISSN 0969-2126
PubMed: 11587645
DOI: 10.1016/S0969-2126(01)00631-1