Iron in PDB 2vv7: Bjfixlh in Unliganded Ferrous Form

All present enzymatic activity of Bjfixlh in Unliganded Ferrous Form:
2.7.13.3;

The structure of Bjfixlh in Unliganded Ferrous Form, PDB code: 2vv7 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)	46.27 / 1.81
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.646, 49.814, 58.760, 73.19, 71.12, 71.74
R / Rfree (%)	19.7 / 24.7

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

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

The binding sites of Iron atom in the Bjfixlh in Unliganded Ferrous Form (pdb code 2vv7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Bjfixlh in Unliganded Ferrous Form, PDB code: 2vv7:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Bjfixlh in 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 Bjfixlh in Unliganded Ferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1258 b:30.2 occ:1.00 FE A:HEM1258 0.0 30.2 1.0 NA A:HEM1258 1.9 32.8 1.0 ND A:HEM1258 2.0 25.4 1.0 NB A:HEM1258 2.0 25.0 1.0 NC A:HEM1258 2.1 27.9 1.0 NE2 A:HIS200 2.2 39.3 1.0 C4A A:HEM1258 2.9 30.6 1.0 C1D A:HEM1258 3.0 29.4 1.0 C1B A:HEM1258 3.0 27.4 1.0 C1A A:HEM1258 3.0 33.0 1.0 C4D A:HEM1258 3.1 30.0 1.0 C4C A:HEM1258 3.1 28.8 1.0 C4B A:HEM1258 3.1 29.3 1.0 C1C A:HEM1258 3.1 26.1 1.0 CD2 A:HIS200 3.1 38.1 1.0 CE1 A:HIS200 3.2 39.1 1.0 CHB A:HEM1258 3.3 31.3 1.0 CHD A:HEM1258 3.4 29.2 1.0 CHA A:HEM1258 3.5 34.1 1.0 CHC A:HEM1258 3.5 29.3 1.0 CD2 A:LEU236 3.9 41.4 1.0 C3A A:HEM1258 4.1 35.4 1.0 C2A A:HEM1258 4.2 36.1 1.0 C2D A:HEM1258 4.2 28.6 1.0 C2B A:HEM1258 4.2 29.0 1.0 C3D A:HEM1258 4.3 26.4 1.0 CD1 A:ILE238 4.3 32.9 0.8 C3B A:HEM1258 4.3 24.3 1.0 CG A:HIS200 4.3 37.2 1.0 C3C A:HEM1258 4.3 27.2 1.0 ND1 A:HIS200 4.3 36.9 1.0 C2C A:HEM1258 4.3 20.9 1.0 CE A:MET192 4.9 36.4 1.0

Iron binding site 2 out of 4 in the Bjfixlh in 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 Bjfixlh in Unliganded Ferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1258 b:30.1 occ:1.00 FE B:HEM1258 0.0 30.1 1.0 NB B:HEM1258 1.9 31.2 1.0 NE2 B:HIS200 2.0 39.5 1.0 NC B:HEM1258 2.1 28.2 1.0 NA B:HEM1258 2.1 25.0 1.0 ND B:HEM1258 2.1 29.0 1.0 C1B B:HEM1258 2.9 31.8 1.0 C4C B:HEM1258 3.0 27.1 1.0 CD2 B:HIS200 3.0 37.6 1.0 C4A B:HEM1258 3.0 29.4 1.0 C4B B:HEM1258 3.0 31.4 1.0 CE1 B:HIS200 3.0 43.4 1.0 C1D B:HEM1258 3.1 30.0 1.0 C1C B:HEM1258 3.1 27.8 1.0 C1A B:HEM1258 3.2 32.0 1.0 C4D B:HEM1258 3.2 32.1 1.0 CHB B:HEM1258 3.3 30.7 1.0 CHD B:HEM1258 3.3 28.8 1.0 CHC B:HEM1258 3.6 31.2 1.0 CHA B:HEM1258 3.6 29.1 1.0 CD2 B:LEU236 3.9 38.2 1.0 C2B B:HEM1258 4.1 31.4 1.0 ND1 B:HIS200 4.2 42.4 1.0 CG B:HIS200 4.2 39.2 1.0 C3B B:HEM1258 4.2 30.8 1.0 C3C B:HEM1258 4.2 25.6 1.0 C3A B:HEM1258 4.3 30.5 1.0 C2C B:HEM1258 4.3 26.0 1.0 CD1 B:ILE238 4.3 39.5 1.0 C2D B:HEM1258 4.3 29.6 1.0 C2A B:HEM1258 4.4 31.3 1.0 C3D B:HEM1258 4.4 28.7 1.0 CE B:MET192 4.6 41.9 1.0 CD1 B:ILE215 4.9 36.5 1.0

Iron binding site 3 out of 4 in the Bjfixlh in Unliganded Ferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bjfixlh in Unliganded Ferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1258 b:28.5 occ:1.00 FE C:HEM1258 0.0 28.5 1.0 NB C:HEM1258 2.0 22.4 1.0 NC C:HEM1258 2.0 26.2 1.0 NA C:HEM1258 2.0 30.8 1.0 ND C:HEM1258 2.0 24.8 1.0 NE2 C:HIS200 2.0 34.8 1.0 CE1 C:HIS200 3.0 37.0 1.0 C1D C:HEM1258 3.0 27.2 1.0 C1B C:HEM1258 3.0 25.8 1.0 C4C C:HEM1258 3.0 25.7 1.0 C4B C:HEM1258 3.0 25.6 1.0 C4A C:HEM1258 3.1 29.6 1.0 C1A C:HEM1258 3.1 29.7 1.0 C1C C:HEM1258 3.1 25.1 1.0 C4D C:HEM1258 3.1 28.5 1.0 CD2 C:HIS200 3.1 39.5 1.0 CHD C:HEM1258 3.3 27.2 1.0 CHC C:HEM1258 3.4 28.5 1.0 CHB C:HEM1258 3.5 28.6 1.0 CHA C:HEM1258 3.5 28.7 1.0 CD2 C:LEU236 3.9 37.0 1.0 ND1 C:HIS200 4.1 37.7 1.0 CG C:HIS200 4.2 39.7 1.0 C2D C:HEM1258 4.2 27.6 1.0 C2B C:HEM1258 4.2 27.1 1.0 C3B C:HEM1258 4.2 21.6 1.0 C3D C:HEM1258 4.3 26.9 1.0 C3A C:HEM1258 4.3 33.3 1.0 C2A C:HEM1258 4.3 33.8 1.0 C3C C:HEM1258 4.3 25.2 1.0 CD1 C:ILE238 4.3 38.5 1.0 C2C C:HEM1258 4.3 26.5 1.0 CE C:MET192 4.8 37.9 1.0 CD1 C:ILE215 4.9 34.5 1.0

Iron binding site 4 out of 4 in the Bjfixlh in Unliganded Ferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bjfixlh in Unliganded Ferrous Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1258 b:36.3 occ:1.00 FE D:HEM1258 0.0 36.3 1.0 NE2 D:HIS200 2.0 39.0 1.0 ND D:HEM1258 2.0 37.4 1.0 NB D:HEM1258 2.0 36.5 1.0 NA D:HEM1258 2.1 35.6 1.0 NC D:HEM1258 2.1 34.4 1.0 CE1 D:HIS200 2.9 41.4 1.0 C1D D:HEM1258 3.0 39.1 1.0 C4A D:HEM1258 3.0 39.8 1.0 C1B D:HEM1258 3.0 37.5 1.0 C4D D:HEM1258 3.1 40.1 1.0 CD2 D:HIS200 3.1 40.3 1.0 C4C D:HEM1258 3.1 35.3 1.0 C1A D:HEM1258 3.1 41.6 1.0 C4B D:HEM1258 3.1 34.3 1.0 C1C D:HEM1258 3.2 31.6 1.0 CHD D:HEM1258 3.4 37.2 1.0 CHB D:HEM1258 3.4 39.3 1.0 CHA D:HEM1258 3.5 39.2 1.0 CHC D:HEM1258 3.5 33.6 1.0 CD2 D:LEU236 4.0 37.6 1.0 ND1 D:HIS200 4.0 39.1 1.0 CG D:HIS200 4.2 39.7 1.0 C2D D:HEM1258 4.3 37.4 1.0 C2B D:HEM1258 4.3 36.6 1.0 C3D D:HEM1258 4.3 40.0 1.0 C3A D:HEM1258 4.3 40.6 1.0 C2A D:HEM1258 4.3 39.8 1.0 C3B D:HEM1258 4.3 35.8 1.0 C3C D:HEM1258 4.3 34.2 1.0 C2C D:HEM1258 4.3 33.5 1.0 CD1 D:ILE238 4.5 37.2 1.0 CD1 D:ILE215 4.8 42.6 1.0 CE D:MET192 4.9 45.0 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