Iron in PDB 1xj6: Structure of Bjfixlh in the Unliganded Ferrous Form

The structure of Structure of Bjfixlh in the Unliganded Ferrous Form, PDB code: 1xj6 was solved by J.Key, K.Moffat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.100, 59.915, 59.574, 90.00, 111.51, 90.00
R / Rfree (%)	20.7 / 24.7

The structure of Structure of Bjfixlh in the Unliganded Ferrous Form also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Structure of Bjfixlh in the Unliganded Ferrous Form (pdb code 1xj6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Bjfixlh in the Unliganded Ferrous Form, PDB code: 1xj6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Bjfixlh in the Unliganded Ferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Bjfixlh in the Unliganded Ferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe719 b:31.7 occ:1.00 FE A:HEM719 0.0 31.7 1.0 NB A:HEM719 2.0 29.4 1.0 NE2 A:HIS200 2.0 35.6 1.0 NA A:HEM719 2.0 30.9 1.0 ND A:HEM719 2.0 31.0 1.0 NC A:HEM719 2.0 27.3 1.0 CE1 A:HIS200 3.0 36.8 1.0 C1B A:HEM719 3.0 34.2 1.0 C4A A:HEM719 3.0 36.9 1.0 C4B A:HEM719 3.1 28.2 1.0 C1D A:HEM719 3.1 35.0 1.0 CD2 A:HIS200 3.1 34.0 1.0 C4C A:HEM719 3.1 32.5 1.0 C1A A:HEM719 3.1 35.6 1.0 C1C A:HEM719 3.1 33.4 1.0 C4D A:HEM719 3.1 34.2 1.0 CHB A:HEM719 3.4 31.6 1.0 CHD A:HEM719 3.4 30.1 1.0 CHC A:HEM719 3.5 31.5 1.0 CHA A:HEM719 3.5 33.7 1.0 CD2 A:LEU236 4.1 28.8 1.0 ND1 A:HIS200 4.2 34.4 1.0 CG A:HIS200 4.2 38.0 1.0 C2B A:HEM719 4.3 31.2 1.0 C3B A:HEM719 4.3 29.4 1.0 C3A A:HEM719 4.3 38.4 1.0 C2D A:HEM719 4.3 34.8 1.0 C2A A:HEM719 4.3 44.6 1.0 C3D A:HEM719 4.3 33.5 1.0 C3C A:HEM719 4.3 34.3 1.0 C2C A:HEM719 4.3 30.5 1.0 CD1 A:ILE238 4.4 33.5 1.0 CE A:MET192 4.8 39.6 1.0 CD1 A:ILE215 5.0 44.3 1.0

Iron binding site 2 out of 2 in the Structure of Bjfixlh in the Unliganded Ferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Bjfixlh in the Unliganded Ferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe719 b:36.9 occ:1.00 FE B:HEM719 0.0 36.9 1.0 NE2 B:HIS200 1.9 36.2 1.0 NA B:HEM719 2.0 46.4 1.0 ND B:HEM719 2.0 40.7 1.0 NB B:HEM719 2.0 42.7 1.0 NC B:HEM719 2.0 37.0 1.0 CE1 B:HIS200 3.0 40.2 1.0 CD2 B:HIS200 3.0 37.4 1.0 C1D B:HEM719 3.0 40.9 1.0 C4A B:HEM719 3.1 46.2 1.0 C1A B:HEM719 3.1 45.5 1.0 C4D B:HEM719 3.1 43.5 1.0 C1B B:HEM719 3.1 42.5 1.0 C4C B:HEM719 3.1 36.0 1.0 C4B B:HEM719 3.1 40.8 1.0 C1C B:HEM719 3.1 39.4 1.0 CHD B:HEM719 3.4 35.7 1.0 CHB B:HEM719 3.4 44.6 1.0 CHA B:HEM719 3.4 44.7 1.0 CHC B:HEM719 3.5 38.4 1.0 ND1 B:HIS200 4.1 39.0 1.0 CG B:HIS200 4.2 36.8 1.0 CD2 B:LEU236 4.2 41.6 1.0 C3A B:HEM719 4.3 44.6 1.0 C2D B:HEM719 4.3 38.8 1.0 C2A B:HEM719 4.3 49.5 1.0 C3D B:HEM719 4.3 43.6 1.0 C2B B:HEM719 4.3 40.0 1.0 CD1 B:ILE215 4.3 72.5 1.0 C3C B:HEM719 4.3 41.0 1.0 C3B B:HEM719 4.3 40.0 1.0 C2C B:HEM719 4.3 33.9 1.0 CE B:MET192 4.8 41.6 1.0

J.Key, K.Moffat. Crystal Structures of Deoxy and Co-Bound Bjfixlh Reveal Details of Ligand Recognition and Signaling Biochemistry V. 44 4627 2005.
ISSN: ISSN 0006-2960
PubMed: 15779889
DOI: 10.1021/BI047942R