Iron in PDB 1jfb: X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution

All present enzymatic activity of X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution:
1.7.99.7;

The structure of X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution, PDB code: 1jfb was solved by H.Shimizu, S.Adachi, S.Y.Park, Y.Shiro, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.661, 82.132, 85.843, 90.00, 90.00, 90.00
R / Rfree (%)	10.2 / 13.9

The binding sites of Iron atom in the X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution (pdb code 1jfb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution, PDB code: 1jfb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:9.4 occ:0.62 FE A:HEM501 0.0 9.4 0.6 FE A:HEM501 0.0 8.9 0.4 ND A:HEM501 2.0 8.7 0.6 NB A:HEM501 2.0 8.6 0.4 NC A:HEM501 2.0 9.1 0.6 NA A:HEM501 2.0 8.2 0.4 ND A:HEM501 2.0 8.4 0.4 NC A:HEM501 2.0 9.0 0.4 NA A:HEM501 2.0 8.8 0.6 NB A:HEM501 2.0 9.4 0.6 O A:HOH727 2.1 11.9 0.5 SG A:CYS352 2.3 9.6 1.0 C1A A:HEM501 3.0 8.9 0.4 C4D A:HEM501 3.0 9.4 0.6 C4C A:HEM501 3.0 9.2 0.6 C1C A:HEM501 3.0 9.0 0.6 C4B A:HEM501 3.0 8.7 0.4 C1D A:HEM501 3.0 9.1 0.6 C4A A:HEM501 3.0 8.5 0.4 C1B A:HEM501 3.0 8.8 0.4 C4B A:HEM501 3.1 9.2 0.6 C4D A:HEM501 3.1 8.6 0.4 C1C A:HEM501 3.1 8.9 0.4 C1A A:HEM501 3.1 8.8 0.6 C4C A:HEM501 3.1 8.6 0.4 C1D A:HEM501 3.1 8.4 0.4 C4A A:HEM501 3.1 8.8 0.6 C1B A:HEM501 3.1 9.1 0.6 HB2 A:CYS352 3.2 10.8 1.0 CB A:CYS352 3.4 9.0 1.0 CHB A:HEM501 3.4 9.4 0.4 CHD A:HEM501 3.4 9.7 0.6 CHC A:HEM501 3.4 9.4 0.6 CHA A:HEM501 3.4 9.2 0.6 CHC A:HEM501 3.4 9.1 0.4 CHA A:HEM501 3.4 9.0 0.4 CHD A:HEM501 3.4 8.6 0.4 CHB A:HEM501 3.4 8.8 0.6 O A:HOH879 3.5 18.9 0.5 HA A:CYS352 3.8 10.2 1.0 HB3 A:ALA354 4.1 14.8 1.0 HB3 A:CYS352 4.2 10.8 1.0 HD1 A:PHE345 4.2 10.6 1.0 HA3 A:GLY240 4.2 13.4 1.0 CA A:CYS352 4.2 8.6 1.0 C3A A:HEM501 4.3 9.1 0.4 C2D A:HEM501 4.3 9.4 0.6 C3C A:HEM501 4.3 9.7 0.6 C2C A:HEM501 4.3 9.2 0.4 HA2 A:GLY240 4.3 13.4 1.0 C2B A:HEM501 4.3 9.2 0.4 C2A A:HEM501 4.3 8.9 0.6 C3A A:HEM501 4.3 8.8 0.6 C2A A:HEM501 4.3 8.9 0.4 C3D A:HEM501 4.3 8.6 0.4 C2D A:HEM501 4.3 8.4 0.4 C2C A:HEM501 4.3 9.6 0.6 C3D A:HEM501 4.3 9.1 0.6 C3B A:HEM501 4.3 9.4 0.4 C3B A:HEM501 4.3 9.8 0.6 C3C A:HEM501 4.3 8.9 0.4 H A:ALA354 4.3 10.6 1.0 HHB A:HEM501 4.3 11.3 0.4 C2B A:HEM501 4.3 9.2 0.6 HHD A:HEM501 4.3 11.6 0.6 HHC A:HEM501 4.3 11.2 0.6 HHA A:HEM501 4.3 11.0 0.6 HHC A:HEM501 4.3 10.9 0.4 HHA A:HEM501 4.3 10.8 0.4 HHD A:HEM501 4.4 10.3 0.4 HHB A:HEM501 4.4 10.6 0.6 O A:HOH1560 4.4 19.8 0.5 O A:HOH1022 4.7 20.6 0.5 CA A:GLY240 4.7 11.2 1.0 HB2 A:ALA239 4.7 17.2 1.0 H A:ILE353 4.7 10.6 1.0 C A:CYS352 4.9 8.6 1.0 HB3 A:ALA239 5.0 17.2 1.0 O A:HOH1594 5.0 58.2 0.5 O A:ALA239 5.0 12.8 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:8.9 occ:0.38 FE A:HEM501 0.0 8.9 0.4 FE A:HEM501 0.0 9.4 0.6 ND A:HEM501 2.0 8.7 0.6 NB A:HEM501 2.0 8.6 0.4 NC A:HEM501 2.0 9.1 0.6 NA A:HEM501 2.0 8.2 0.4 NC A:HEM501 2.0 9.0 0.4 ND A:HEM501 2.0 8.4 0.4 NB A:HEM501 2.0 9.4 0.6 NA A:HEM501 2.0 8.8 0.6 O A:HOH727 2.1 11.9 0.5 SG A:CYS352 2.3 9.6 1.0 C1A A:HEM501 3.0 8.9 0.4 C4D A:HEM501 3.0 9.4 0.6 C4C A:HEM501 3.0 9.2 0.6 C1C A:HEM501 3.0 9.0 0.6 C4B A:HEM501 3.0 8.7 0.4 C1D A:HEM501 3.0 9.1 0.6 C4A A:HEM501 3.0 8.5 0.4 C1B A:HEM501 3.0 8.8 0.4 C4B A:HEM501 3.1 9.2 0.6 C4D A:HEM501 3.1 8.6 0.4 C1C A:HEM501 3.1 8.9 0.4 C1A A:HEM501 3.1 8.8 0.6 C4C A:HEM501 3.1 8.6 0.4 C1D A:HEM501 3.1 8.4 0.4 C4A A:HEM501 3.1 8.8 0.6 C1B A:HEM501 3.1 9.1 0.6 HB2 A:CYS352 3.2 10.8 1.0 CB A:CYS352 3.4 9.0 1.0 CHB A:HEM501 3.4 9.4 0.4 CHD A:HEM501 3.4 9.7 0.6 CHC A:HEM501 3.4 9.4 0.6 CHC A:HEM501 3.4 9.1 0.4 CHA A:HEM501 3.4 9.2 0.6 CHA A:HEM501 3.4 9.0 0.4 CHD A:HEM501 3.4 8.6 0.4 CHB A:HEM501 3.4 8.8 0.6 O A:HOH879 3.5 18.9 0.5 HA A:CYS352 3.8 10.2 1.0 HB3 A:ALA354 4.1 14.8 1.0 HB3 A:CYS352 4.2 10.8 1.0 HD1 A:PHE345 4.2 10.6 1.0 HA3 A:GLY240 4.2 13.4 1.0 CA A:CYS352 4.2 8.6 1.0 C3A A:HEM501 4.3 9.1 0.4 C2D A:HEM501 4.3 9.4 0.6 C3C A:HEM501 4.3 9.7 0.6 C2C A:HEM501 4.3 9.2 0.4 HA2 A:GLY240 4.3 13.4 1.0 C2B A:HEM501 4.3 9.2 0.4 C2A A:HEM501 4.3 8.9 0.6 C2C A:HEM501 4.3 9.6 0.6 C3A A:HEM501 4.3 8.8 0.6 C2A A:HEM501 4.3 8.9 0.4 C3B A:HEM501 4.3 9.4 0.4 C3D A:HEM501 4.3 9.1 0.6 C3D A:HEM501 4.3 8.6 0.4 C2D A:HEM501 4.3 8.4 0.4 C3B A:HEM501 4.3 9.8 0.6 C3C A:HEM501 4.3 8.9 0.4 H A:ALA354 4.3 10.6 1.0 HHB A:HEM501 4.3 11.3 0.4 C2B A:HEM501 4.3 9.2 0.6 HHD A:HEM501 4.3 11.6 0.6 HHC A:HEM501 4.3 11.2 0.6 HHA A:HEM501 4.3 11.0 0.6 HHC A:HEM501 4.3 10.9 0.4 HHA A:HEM501 4.4 10.8 0.4 HHD A:HEM501 4.4 10.3 0.4 HHB A:HEM501 4.4 10.6 0.6 O A:HOH1560 4.4 19.8 0.5 O A:HOH1022 4.7 20.6 0.5 CA A:GLY240 4.7 11.2 1.0 HB2 A:ALA239 4.7 17.2 1.0 H A:ILE353 4.7 10.6 1.0 C A:CYS352 4.9 8.6 1.0 HB3 A:ALA239 5.0 17.2 1.0 O A:HOH1594 5.0 58.2 0.5 O A:ALA239 5.0 12.8 1.0

H.Shimizu, S.Y.Park, Y.Shiro, S.Adachi. X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) at Atomic Resolution. Acta Crystallogr.,Sect.D V. 58 81 2002.
ISSN: ISSN 0907-4449
PubMed: 11752781
DOI: 10.1107/S0907444901017383