Iron in PDB 1ged: A Positive Charge Route For the Access of Nadh to Heme Formed in the Distal Heme Pocket of Cytochrome P450NOR

The structure of A Positive Charge Route For the Access of Nadh to Heme Formed in the Distal Heme Pocket of Cytochrome P450NOR, PDB code: 1ged was solved by T.Kudo, N.Takaya, S.-Y.Park, Y.Shiro, H.Shoun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.320, 78.050, 86.600, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 27.9

The structure of A Positive Charge Route For the Access of Nadh to Heme Formed in the Distal Heme Pocket of Cytochrome P450NOR also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Iron atom in the A Positive Charge Route For the Access of Nadh to Heme Formed in the Distal Heme Pocket of Cytochrome P450NOR (pdb code 1ged). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the A Positive Charge Route For the Access of Nadh to Heme Formed in the Distal Heme Pocket of Cytochrome P450NOR, PDB code: 1ged:

Iron binding site 1 out of 1 in the A Positive Charge Route For the Access of Nadh to Heme Formed in the Distal Heme Pocket of Cytochrome P450NOR


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Positive Charge Route For the Access of Nadh to Heme Formed in the Distal Heme Pocket of Cytochrome P450NOR within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:19.0 occ:1.00 FE A:HEM501 0.0 19.0 1.0 NA A:HEM501 1.9 17.1 1.0 NC A:HEM501 2.0 12.7 1.0 ND A:HEM501 2.0 20.2 1.0 NB A:HEM501 2.0 20.6 1.0 SG A:CYS352 2.2 21.6 1.0 C1A A:HEM501 3.0 18.4 1.0 C1C A:HEM501 3.0 16.2 1.0 C4A A:HEM501 3.0 20.6 1.0 C4C A:HEM501 3.0 16.4 1.0 C4D A:HEM501 3.0 15.4 1.0 C1D A:HEM501 3.1 13.9 1.0 C4B A:HEM501 3.1 15.0 1.0 C1B A:HEM501 3.1 16.4 1.0 CB A:CYS352 3.2 18.6 1.0 CHA A:HEM501 3.4 16.6 1.0 CHC A:HEM501 3.5 17.0 1.0 CHD A:HEM501 3.5 17.7 1.0 CHB A:HEM501 3.5 19.3 1.0 CA A:CYS352 4.1 21.8 1.0 C3C A:HEM501 4.2 16.7 1.0 C2C A:HEM501 4.2 14.6 1.0 C2A A:HEM501 4.2 17.1 1.0 C3A A:HEM501 4.3 16.4 1.0 C3D A:HEM501 4.3 15.4 1.0 C2D A:HEM501 4.3 10.1 1.0 C3B A:HEM501 4.3 20.6 1.0 C2B A:HEM501 4.4 19.6 1.0 O A:ALA239 4.4 28.7 1.0 CA A:GLY240 4.7 20.4 1.0 C A:CYS352 4.8 21.7 1.0 O A:HOH539 4.9 28.6 1.0 C A:ALA239 4.9 24.2 1.0 CD1 A:PHE345 4.9 17.0 1.0 N A:ILE353 5.0 22.1 1.0

T.Kudo, N.Takaya, S.-Y.Park, Y.Shiro, H.Shoun. A Positively Charged Cluster Formed in the Heme-Distal Pocket of Cytochrome P450NOR Is Essential For Interaction with Nadh J.Biol.Chem. V. 276 5020 2001.
ISSN: ISSN 0021-9258
PubMed: 11076941
DOI: 10.1074/JBC.M007244200