Iron in PDB 2grx: Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome

The structure of Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome, PDB code: 2grx was solved by P.D.Pawelek, M.Allaire, J.W.Coulton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	234.320, 91.840, 138.510, 90.00, 118.86, 90.00
R / Rfree (%)	28.4 / 32.9

The binding sites of Iron atom in the Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome (pdb code 2grx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome, PDB code: 2grx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1050 b:54.9 occ:1.00 FE A:FCI1050 0.0 54.9 1.0 O14 A:FCI1050 2.0 58.3 1.0 O11 A:FCI1050 2.1 52.6 1.0 O8 A:FCI1050 2.1 64.0 1.0 O6 A:FCI1050 2.1 63.7 1.0 O10 A:FCI1050 2.1 53.4 1.0 O3 A:FCI1050 2.2 47.6 1.0 C6 A:FCI1050 2.8 60.5 1.0 N6 A:FCI1050 2.8 58.3 1.0 C9 A:FCI1050 2.8 64.2 1.0 N8 A:FCI1050 2.8 58.4 1.0 C3 A:FCI1050 2.9 57.7 1.0 N5 A:FCI1050 2.9 62.1 1.0 C21 A:FCI1050 4.1 57.9 1.0 OH A:TYR244 4.1 56.7 1.0 C32 A:FCI1050 4.2 47.3 1.0 N1 A:FCI1050 4.2 58.9 1.0 C34 A:FCI1050 4.2 57.7 1.0 N3 A:FCI1050 4.2 59.8 1.0 CB A:GLN100 4.2 45.5 1.0 C30 A:FCI1050 4.3 52.6 1.0 NH2 A:ARG81 4.3 67.7 1.0 CG A:GLN100 4.4 45.5 1.0 OH A:TYR116 4.4 57.6 1.0 C13 A:FCI1050 4.5 59.7 1.0 C25 A:FCI1050 4.6 44.5 1.0 CE1 A:TYR116 4.6 57.6 1.0 C24 A:FCI1050 4.7 49.2 1.0 C29 A:FCI1050 4.7 50.2 1.0 C27 A:FCI1050 4.7 55.0 1.0 C4 A:FCI1050 4.7 55.6 1.0 CZ2 A:TRP246 4.7 48.5 1.0 CE2 A:TYR244 4.8 56.7 1.0 CZ A:TYR116 4.8 57.6 1.0 CZ A:TYR244 4.8 56.7 1.0 C18 A:FCI1050 4.8 47.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor For Ferrichrome within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1050 b:54.9 occ:1.00 FE B:FCI1050 0.0 54.9 1.0 O14 B:FCI1050 2.0 58.3 1.0 O11 B:FCI1050 2.1 52.6 1.0 O8 B:FCI1050 2.1 64.0 1.0 O6 B:FCI1050 2.1 63.7 1.0 O10 B:FCI1050 2.1 53.4 1.0 O3 B:FCI1050 2.2 47.6 1.0 C6 B:FCI1050 2.8 60.5 1.0 N6 B:FCI1050 2.8 58.3 1.0 C9 B:FCI1050 2.8 64.2 1.0 N8 B:FCI1050 2.8 58.4 1.0 C3 B:FCI1050 2.9 57.7 1.0 N5 B:FCI1050 2.9 62.1 1.0 C21 B:FCI1050 4.1 57.9 1.0 OH B:TYR116 4.1 0.4 1.0 CZ2 B:TRP246 4.1 0.3 1.0 C32 B:FCI1050 4.2 47.3 1.0 N1 B:FCI1050 4.2 58.9 1.0 C34 B:FCI1050 4.2 57.7 1.0 N3 B:FCI1050 4.2 59.8 1.0 C30 B:FCI1050 4.3 52.6 1.0 NH2 B:ARG81 4.3 0.2 1.0 C13 B:FCI1050 4.5 59.7 1.0 OH B:TYR244 4.5 0.4 1.0 C25 B:FCI1050 4.6 44.5 1.0 C24 B:FCI1050 4.7 49.2 1.0 C29 B:FCI1050 4.7 50.2 1.0 CZ B:TYR116 4.7 0.4 1.0 CE1 B:TYR116 4.7 0.4 1.0 C4 B:FCI1050 4.7 55.6 1.0 C27 B:FCI1050 4.7 55.0 1.0 C18 B:FCI1050 4.8 47.2 1.0 CE2 B:TYR244 4.9 0.4 1.0 CB B:GLN100 4.9 63.2 1.0 CE2 B:TRP246 4.9 0.3 1.0 CG B:GLN100 5.0 63.2 1.0 CH2 B:TRP246 5.0 0.3 1.0

P.D.Pawelek, N.Croteau, C.Ng-Thow-Hing, C.M.Khursigara, N.Moiseeva, M.Allaire, J.W.Coulton. Structure of Tonb in Complex with Fhua, E. Coli Outer Membrane Receptor. Science V. 312 1399 2006.
ISSN: ISSN 0036-8075
PubMed: 16741125
DOI: 10.1126/SCIENCE.1128057