Iron in PDB 3ks0: Crystal Structure of the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4

All present enzymatic activity of Crystal Structure of the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4:
1.1.2.3;

The structure of Crystal Structure of the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4, PDB code: 3ks0 was solved by B.Golinelli-Pimpaneau, F.Lederer, K.H.D.Le, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.75 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.580, 83.680, 92.165, 90.00, 96.80, 90.00
R / Rfree (%)	21.4 / 28.9

The binding sites of Iron atom in the Crystal Structure of the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4 (pdb code 3ks0). 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 the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4, PDB code: 3ks0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4


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 the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:38.0 occ:1.00 FE A:HEM101 0.0 38.0 1.0 NC A:HEM101 2.0 36.3 1.0 ND A:HEM101 2.0 38.0 1.0 NA A:HEM101 2.0 39.2 1.0 NE2 A:HIS43 2.1 39.4 1.0 NB A:HEM101 2.1 35.5 1.0 NE2 A:HIS66 2.1 34.9 1.0 CD2 A:HIS43 3.0 40.9 1.0 C4D A:HEM101 3.0 38.8 1.0 C1A A:HEM101 3.0 40.2 1.0 C1C A:HEM101 3.0 35.4 1.0 C1D A:HEM101 3.0 38.6 1.0 C4C A:HEM101 3.0 36.5 1.0 C4B A:HEM101 3.1 35.3 1.0 C4A A:HEM101 3.1 40.1 1.0 CE1 A:HIS66 3.1 36.5 1.0 CD2 A:HIS66 3.1 35.8 1.0 C1B A:HEM101 3.1 35.6 1.0 CE1 A:HIS43 3.2 38.1 1.0 CHA A:HEM101 3.3 41.6 1.0 CHC A:HEM101 3.4 33.3 1.0 CHD A:HEM101 3.4 38.3 1.0 CHB A:HEM101 3.5 36.0 1.0 CG A:HIS43 4.2 41.4 1.0 ND1 A:HIS66 4.2 35.4 1.0 C2A A:HEM101 4.2 41.2 1.0 ND1 A:HIS43 4.2 37.9 1.0 C3D A:HEM101 4.2 39.7 1.0 C3C A:HEM101 4.2 35.2 1.0 C2C A:HEM101 4.3 35.4 1.0 CG A:HIS66 4.3 35.0 1.0 C2D A:HEM101 4.3 38.5 1.0 C3A A:HEM101 4.3 41.4 1.0 C3B A:HEM101 4.3 36.9 1.0 C2B A:HEM101 4.3 35.8 1.0 CE1 A:PHE62 4.8 29.4 1.0 CD1 A:PHE62 4.9 29.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4


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 the Heme Domain of Flavocytochrome B2 in Complex with Fab B2B4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:38.6 occ:1.00 FE B:HEM101 0.0 38.6 1.0 NE2 B:HIS43 2.0 41.9 1.0 NC B:HEM101 2.0 37.3 1.0 NA B:HEM101 2.0 41.1 1.0 ND B:HEM101 2.0 40.3 1.0 NB B:HEM101 2.1 38.2 1.0 NE2 B:HIS66 2.2 34.7 1.0 CD2 B:HIS43 2.9 43.4 1.0 C1A B:HEM101 3.0 41.6 1.0 CE1 B:HIS43 3.0 42.2 1.0 C1C B:HEM101 3.0 37.4 1.0 C4C B:HEM101 3.0 37.8 1.0 C4D B:HEM101 3.0 40.6 1.0 C1D B:HEM101 3.0 40.1 1.0 C4A B:HEM101 3.1 41.4 1.0 C4B B:HEM101 3.1 36.3 1.0 CD2 B:HIS66 3.1 35.0 1.0 C1B B:HEM101 3.2 38.0 1.0 CE1 B:HIS66 3.2 34.7 1.0 CHA B:HEM101 3.3 42.0 1.0 CHD B:HEM101 3.4 40.6 1.0 CHC B:HEM101 3.4 35.3 1.0 CHB B:HEM101 3.5 38.8 1.0 ND1 B:HIS43 4.1 44.6 1.0 CG B:HIS43 4.1 43.4 1.0 C2A B:HEM101 4.2 42.8 1.0 C3C B:HEM101 4.2 37.6 1.0 C2C B:HEM101 4.2 38.4 1.0 C3A B:HEM101 4.3 41.7 1.0 C3D B:HEM101 4.3 41.3 1.0 C2D B:HEM101 4.3 39.8 1.0 ND1 B:HIS66 4.3 33.5 1.0 CG B:HIS66 4.3 34.1 1.0 C3B B:HEM101 4.3 38.2 1.0 C2B B:HEM101 4.4 38.2 1.0 CE1 B:PHE62 4.9 33.6 1.0 CA B:GLY45 4.9 40.0 1.0 N B:GLY45 4.9 41.1 1.0 CD1 B:PHE62 5.0 33.6 1.0

K.H.Diep Le, F.Lederer, B.Golinelli-Pimpaneau. Structural Evidence For the Functional Importance of the Heme Domain Mobility in Flavocytochrome B2. J.Mol.Biol. V. 400 518 2010.
ISSN: ISSN 0022-2836
PubMed: 20546754
DOI: 10.1016/J.JMB.2010.05.035