Iron in PDB 1jni: Structure of the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae.

The structure of Structure of the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae., PDB code: 1jni was solved by A.Brige, D.Leys, T.E.Meyer, M.A.Cusanovich, J.J.Van Beeumen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.25
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.752, 78.752, 29.047, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 21.4

The binding sites of Iron atom in the Structure of the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae. (pdb code 1jni). 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 the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae., PDB code: 1jni:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe125 b:16.2 occ:1.00 FE A:HEM125 0.0 16.2 1.0 NA A:HEM125 2.0 15.2 1.0 NB A:HEM125 2.0 15.4 1.0 ND A:HEM125 2.0 17.8 1.0 NE2 A:HIS79 2.0 15.3 1.0 NC A:HEM125 2.0 17.4 1.0 NE2 A:HIS102 2.1 15.9 1.0 CE1 A:HIS79 2.9 16.3 1.0 C4A A:HEM125 3.0 15.5 1.0 C4D A:HEM125 3.0 16.5 1.0 CE1 A:HIS102 3.0 19.6 1.0 C1A A:HEM125 3.0 16.6 1.0 C1B A:HEM125 3.0 14.5 1.0 C4B A:HEM125 3.0 15.6 1.0 C1D A:HEM125 3.0 15.4 1.0 C4C A:HEM125 3.0 18.1 1.0 C1C A:HEM125 3.1 16.6 1.0 CD2 A:HIS102 3.1 14.5 1.0 CD2 A:HIS79 3.1 18.4 1.0 CHB A:HEM125 3.4 16.3 1.0 CHA A:HEM125 3.4 16.8 1.0 CHD A:HEM125 3.4 17.3 1.0 CHC A:HEM125 3.4 17.4 1.0 ND1 A:HIS79 4.1 17.6 1.0 ND1 A:HIS102 4.2 16.3 1.0 CG A:HIS102 4.2 14.9 1.0 CG A:HIS79 4.2 16.0 1.0 C2D A:HEM125 4.3 18.7 1.0 C3A A:HEM125 4.3 15.3 1.0 C3D A:HEM125 4.3 18.3 1.0 C2A A:HEM125 4.3 16.2 1.0 C2B A:HEM125 4.3 15.4 1.0 C3C A:HEM125 4.3 17.0 1.0 C2C A:HEM125 4.3 16.8 1.0 C3B A:HEM125 4.3 15.9 1.0

Iron binding site 2 out of 2 in the Structure of the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Napb Subunit of the Periplasmic Nitrate Reductase From Haemophilus Influenzae. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe126 b:14.7 occ:1.00 FE A:HEM126 0.0 14.7 1.0 NC A:HEM126 2.0 13.9 1.0 ND A:HEM126 2.0 16.3 1.0 NE2 A:HIS62 2.0 13.4 1.0 NB A:HEM126 2.0 13.9 1.0 NA A:HEM126 2.0 14.8 1.0 NE2 A:HIS44 2.1 15.3 1.0 CE1 A:HIS62 2.9 12.4 1.0 CE1 A:HIS44 3.0 15.8 1.0 C1C A:HEM126 3.0 14.1 1.0 C1D A:HEM126 3.0 13.5 1.0 C4C A:HEM126 3.0 15.5 1.0 C4D A:HEM126 3.0 16.0 1.0 C1A A:HEM126 3.0 14.3 1.0 CD2 A:HIS62 3.1 13.7 1.0 C4B A:HEM126 3.1 14.5 1.0 C4A A:HEM126 3.1 14.0 1.0 C1B A:HEM126 3.1 13.5 1.0 CD2 A:HIS44 3.1 16.7 1.0 CHB A:HEM126 3.4 14.0 1.0 CHD A:HEM126 3.4 16.3 1.0 CHC A:HEM126 3.4 15.1 1.0 CHA A:HEM126 3.5 15.7 1.0 ND1 A:HIS62 4.1 13.4 1.0 ND1 A:HIS44 4.1 17.4 1.0 CG A:HIS62 4.2 12.7 1.0 CG A:HIS44 4.3 17.8 1.0 C2C A:HEM126 4.3 14.4 1.0 C3D A:HEM126 4.3 14.9 1.0 C2A A:HEM126 4.3 14.4 1.0 C2D A:HEM126 4.3 14.7 1.0 C3C A:HEM126 4.3 15.0 1.0 C3A A:HEM126 4.3 14.8 1.0 C2B A:HEM126 4.3 14.1 1.0 C3B A:HEM126 4.3 15.8 1.0 CG1 A:VAL42 4.5 18.1 1.0

A.Brige, D.Leys, T.E.Meyer, M.A.Cusanovich, J.J.Van Beeumen. The 1.25 A Resolution Structure of the Diheme Napb Subunit of Soluble Nitrate Reductase Reveals A Novel Cytochrome C Fold with A Stacked Heme Arrangement. Biochemistry V. 41 4827 2002.
ISSN: ISSN 0006-2960
PubMed: 11939777
DOI: 10.1021/BI012144B