Iron in PDB 2vv8: Co-Bound Structure of Bjfixlh

All present enzymatic activity of Co-Bound Structure of Bjfixlh:
2.7.13.3;

The structure of Co-Bound Structure of Bjfixlh, PDB code: 2vv8 was solved by R.A.Ayers, K.Moffat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.88 / 1.61
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.923, 50.296, 58.993, 73.37, 70.26, 72.13
R / Rfree (%)	20.6 / 24.9

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

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

The binding sites of Iron atom in the Co-Bound Structure of Bjfixlh (pdb code 2vv8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Co-Bound Structure of Bjfixlh, PDB code: 2vv8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 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:Fe1258 b:7.5 occ:1.00 FE A:HEM1258 0.0 7.5 1.0 NB A:HEM1258 2.0 4.3 1.0 NC A:HEM1258 2.0 2.0 1.0 ND A:HEM1258 2.1 6.8 1.0 NA A:HEM1258 2.1 5.8 1.0 C A:CMO1259 2.1 6.8 1.0 NE2 A:HIS200 2.2 11.8 1.0 C1C A:HEM1258 3.0 5.1 1.0 C1D A:HEM1258 3.0 6.0 1.0 C1B A:HEM1258 3.0 5.2 1.0 C4A A:HEM1258 3.0 10.2 1.0 C4C A:HEM1258 3.1 7.3 1.0 CD2 A:HIS200 3.1 14.5 1.0 C1A A:HEM1258 3.1 8.7 1.0 C4B A:HEM1258 3.1 5.1 1.0 C4D A:HEM1258 3.2 7.0 1.0 CE1 A:HIS200 3.2 15.0 1.0 O A:CMO1259 3.3 12.2 1.0 CHB A:HEM1258 3.4 5.8 1.0 CHD A:HEM1258 3.4 4.8 1.0 CHC A:HEM1258 3.4 5.0 1.0 CHA A:HEM1258 3.5 9.7 1.0 C3C A:HEM1258 4.2 4.8 1.0 C3A A:HEM1258 4.2 12.1 1.0 C2C A:HEM1258 4.2 3.1 1.0 CG A:HIS200 4.3 13.3 1.0 C2B A:HEM1258 4.3 7.0 1.0 ND1 A:HIS200 4.3 12.0 1.0 C2D A:HEM1258 4.3 5.0 1.0 C2A A:HEM1258 4.3 13.3 1.0 C3B A:HEM1258 4.4 2.8 1.0 C3D A:HEM1258 4.4 4.0 1.0 CD2 A:LEU236 4.5 16.7 1.0

Iron binding site 2 out of 4 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:Fe1259 b:4.3 occ:1.00 FE B:HEM1259 0.0 4.3 1.0 C B:CMO1260 1.7 5.0 1.0 NB B:HEM1259 2.0 6.2 1.0 NE2 B:HIS200 2.0 12.0 1.0 NC B:HEM1259 2.1 2.6 1.0 ND B:HEM1259 2.1 5.0 1.0 NA B:HEM1259 2.1 2.0 1.0 O B:CMO1260 2.9 5.1 1.0 CE1 B:HIS200 3.0 12.8 1.0 C4C B:HEM1259 3.0 5.7 1.0 C1B B:HEM1259 3.0 5.9 1.0 C4A B:HEM1259 3.0 7.1 1.0 CD2 B:HIS200 3.1 13.5 1.0 C1C B:HEM1259 3.1 3.7 1.0 C4B B:HEM1259 3.1 3.0 1.0 C1D B:HEM1259 3.1 3.0 1.0 C4D B:HEM1259 3.1 6.0 1.0 C1A B:HEM1259 3.2 8.6 1.0 CHB B:HEM1259 3.4 6.4 1.0 CHD B:HEM1259 3.4 2.8 1.0 CHC B:HEM1259 3.4 3.4 1.0 CHA B:HEM1259 3.5 5.9 1.0 ND1 B:HIS200 4.1 16.3 1.0 CG B:HIS200 4.2 15.1 1.0 C3C B:HEM1259 4.2 2.2 1.0 C2C B:HEM1259 4.2 3.5 1.0 C2B B:HEM1259 4.2 5.3 1.0 C3B B:HEM1259 4.3 7.3 1.0 C3A B:HEM1259 4.3 5.9 1.0 C2D B:HEM1259 4.3 5.9 1.0 C3D B:HEM1259 4.3 5.5 1.0 C2A B:HEM1259 4.4 8.8 1.0 CD1 B:LEU236 4.6 21.9 1.0 CE B:MET192 4.9 18.5 0.8 CD1 B:ILE215 5.0 16.7 1.0

Iron binding site 3 out of 4 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 3 of Co-Bound Structure of Bjfixlh within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1259 b:6.8 occ:1.00 FE C:HEM1259 0.0 6.8 1.0 C C:CMO1260 1.7 7.4 1.0 NB C:HEM1259 2.0 5.2 1.0 ND C:HEM1259 2.0 6.5 1.0 NE2 C:HIS200 2.0 12.2 1.0 NC C:HEM1259 2.0 4.1 1.0 NA C:HEM1259 2.1 8.0 1.0 O C:CMO1260 2.9 8.0 1.0 CE1 C:HIS200 3.0 15.2 1.0 C1B C:HEM1259 3.0 4.5 1.0 C1D C:HEM1259 3.0 5.9 1.0 C4B C:HEM1259 3.0 4.9 1.0 C1C C:HEM1259 3.0 3.1 1.0 CD2 C:HIS200 3.0 11.5 1.0 C4D C:HEM1259 3.1 9.4 1.0 C4C C:HEM1259 3.1 6.0 1.0 C4A C:HEM1259 3.1 10.0 1.0 C1A C:HEM1259 3.1 11.1 1.0 CHC C:HEM1259 3.4 4.4 1.0 CHD C:HEM1259 3.4 6.3 1.0 CHB C:HEM1259 3.4 8.1 1.0 CHA C:HEM1259 3.4 8.9 1.0 ND1 C:HIS200 4.1 14.0 1.0 CG C:HIS200 4.2 13.7 1.0 C2B C:HEM1259 4.2 5.8 1.0 C2D C:HEM1259 4.3 7.4 1.0 C3C C:HEM1259 4.3 2.5 1.0 C3B C:HEM1259 4.3 6.0 1.0 C3D C:HEM1259 4.3 8.4 1.0 C2C C:HEM1259 4.3 3.2 1.0 C3A C:HEM1259 4.3 10.9 1.0 C2A C:HEM1259 4.3 12.3 1.0 CD1 C:LEU236 4.6 19.1 0.8

Iron binding site 4 out of 4 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 4 of Co-Bound Structure of Bjfixlh within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1259 b:6.9 occ:1.00 FE D:HEM1259 0.0 6.9 1.0 C D:CMO1260 1.8 9.4 1.0 NB D:HEM1259 2.0 8.1 1.0 NE2 D:HIS200 2.0 13.1 1.0 NC D:HEM1259 2.1 5.6 1.0 ND D:HEM1259 2.1 7.9 1.0 NA D:HEM1259 2.1 7.5 1.0 CE1 D:HIS200 2.9 15.2 1.0 O D:CMO1260 3.0 11.6 1.0 C4B D:HEM1259 3.0 5.0 1.0 C1C D:HEM1259 3.0 6.3 1.0 CD2 D:HIS200 3.1 13.5 1.0 C1B D:HEM1259 3.1 9.3 1.0 C4A D:HEM1259 3.1 10.0 1.0 C4C D:HEM1259 3.1 6.2 1.0 C4D D:HEM1259 3.1 8.9 1.0 C1D D:HEM1259 3.1 8.8 1.0 C1A D:HEM1259 3.1 8.9 1.0 CHC D:HEM1259 3.4 5.4 1.0 CHB D:HEM1259 3.4 10.2 1.0 CHA D:HEM1259 3.5 11.1 1.0 CHD D:HEM1259 3.5 7.1 1.0 ND1 D:HIS200 4.1 14.6 1.0 CG D:HIS200 4.2 14.0 1.0 C2B D:HEM1259 4.3 7.5 1.0 C2C D:HEM1259 4.3 4.8 1.0 C3B D:HEM1259 4.3 8.7 1.0 C3C D:HEM1259 4.3 4.2 1.0 C3A D:HEM1259 4.3 8.8 1.0 C2D D:HEM1259 4.3 8.4 1.0 C2A D:HEM1259 4.3 12.0 1.0 C3D D:HEM1259 4.3 8.9 1.0 CD2 D:LEU236 4.5 19.8 1.0 CE D:MET192 4.9 19.4 1.0

R.A.Ayers, K.Moffat. Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains. Biochemistry V. 47 12078 2008.
ISSN: ISSN 0006-2960
PubMed: 18942854
DOI: 10.1021/BI801254C