Iron in PDB 1xj4: Co-Bound Structure of Bjfixlh

The structure of Co-Bound Structure of Bjfixlh, PDB code: 1xj4 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 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.132, 59.642, 59.458, 90.00, 111.75, 90.00
R / Rfree (%)	21.7 / 24.7

The structure of Co-Bound Structure of Bjfixlh also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Co-Bound Structure of Bjfixlh (pdb code 1xj4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Co-Bound Structure of Bjfixlh, PDB code: 1xj4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Co-Bound Structure of Bjfixlh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Co-Bound Structure of Bjfixlh within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe719 b:36.1 occ:1.00 FE A:HEM719 0.0 36.1 1.0 C A:CMO1720 1.8 31.4 0.7 NB A:HEM719 2.0 33.8 1.0 ND A:HEM719 2.0 36.1 1.0 NA A:HEM719 2.0 35.2 1.0 NE2 A:HIS200 2.0 39.2 1.0 NC A:HEM719 2.1 28.4 1.0 O A:CMO1720 2.9 35.0 0.7 CE1 A:HIS200 3.0 43.0 1.0 C1B A:HEM719 3.0 40.3 1.0 C4A A:HEM719 3.0 43.3 1.0 C1D A:HEM719 3.0 40.5 1.0 C4C A:HEM719 3.1 36.4 1.0 C4B A:HEM719 3.1 37.3 1.0 C4D A:HEM719 3.1 38.4 1.0 C1A A:HEM719 3.1 42.4 1.0 C1C A:HEM719 3.1 35.8 1.0 CD2 A:HIS200 3.1 36.2 1.0 CHB A:HEM719 3.4 36.5 1.0 CHD A:HEM719 3.4 38.1 1.0 CHA A:HEM719 3.5 42.8 1.0 CHC A:HEM719 3.5 34.6 1.0 ND1 A:HIS200 4.2 41.7 1.0 CG A:HIS200 4.2 40.9 1.0 C2B A:HEM719 4.2 36.4 1.0 C3A A:HEM719 4.3 43.0 1.0 C3B A:HEM719 4.3 38.2 1.0 C2D A:HEM719 4.3 39.2 1.0 C2A A:HEM719 4.3 46.1 1.0 C3D A:HEM719 4.3 39.6 1.0 C3C A:HEM719 4.3 33.5 1.0 C2C A:HEM719 4.3 30.9 1.0 CD2 A:LEU236 4.5 52.6 1.0 CE A:MET192 4.9 44.0 1.0

Iron binding site 2 out of 2 in the Co-Bound Structure of Bjfixlh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Co-Bound Structure of Bjfixlh within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe719 b:42.2 occ:1.00 FE B:HEM719 0.0 42.2 1.0 C B:CMO5720 1.8 41.7 0.7 NA B:HEM719 2.0 52.2 1.0 ND B:HEM719 2.0 45.2 1.0 NB B:HEM719 2.0 48.1 1.0 NE2 B:HIS200 2.0 42.5 1.0 NC B:HEM719 2.0 41.3 1.0 O B:CMO5720 2.9 51.7 0.7 C4A B:HEM719 3.0 51.8 1.0 CE1 B:HIS200 3.0 43.6 1.0 C1D B:HEM719 3.0 46.3 1.0 C1B B:HEM719 3.0 48.8 1.0 C1A B:HEM719 3.1 53.0 1.0 C4C B:HEM719 3.1 40.6 1.0 C4D B:HEM719 3.1 48.8 1.0 CD2 B:HIS200 3.1 41.0 1.0 C4B B:HEM719 3.1 45.2 1.0 C1C B:HEM719 3.1 41.5 1.0 CHB B:HEM719 3.4 49.4 1.0 CHD B:HEM719 3.4 40.5 1.0 CHA B:HEM719 3.4 51.9 1.0 CHC B:HEM719 3.5 44.8 1.0 ND1 B:HIS200 4.2 46.6 1.0 CG B:HIS200 4.2 43.9 1.0 C3A B:HEM719 4.3 55.1 1.0 C2A B:HEM719 4.3 55.0 1.0 C2D B:HEM719 4.3 43.4 1.0 C3D B:HEM719 4.3 48.2 1.0 C2B B:HEM719 4.3 48.1 1.0 C3B B:HEM719 4.3 46.9 1.0 C3C B:HEM719 4.3 39.5 1.0 C2C B:HEM719 4.3 37.8 1.0 CD2 B:LEU236 4.5 54.1 1.0 CE B:MET192 5.0 51.3 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