Iron in PDB 3nv5: Crystal Structure of Cytochrome P450 CYP101D2

The structure of Crystal Structure of Cytochrome P450 CYP101D2, PDB code: 3nv5 was solved by W.Yang, S.G.Bell, H.Wang, W.H.Zhou, M.Bartlam, L.L.Wong, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.96 / 2.41
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.653, 86.653, 124.705, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 26

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 CYP101D2 (pdb code 3nv5). 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 Crystal Structure of Cytochrome P450 CYP101D2, PDB code: 3nv5:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 CYP101D2


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 Cytochrome P450 CYP101D2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe418 b:31.5 occ:1.00 FE A:HEM418 0.0 31.5 1.0 ND A:HEM418 2.0 26.1 1.0 NA A:HEM418 2.0 26.9 1.0 NC A:HEM418 2.0 26.1 1.0 NB A:HEM418 2.1 25.9 1.0 O A:HOH568 2.2 40.3 1.0 SG A:CYS364 2.3 33.0 1.0 C1D A:HEM418 3.0 27.0 1.0 C1A A:HEM418 3.0 27.9 1.0 C4D A:HEM418 3.0 28.8 1.0 C4C A:HEM418 3.0 28.3 1.0 C4A A:HEM418 3.1 27.0 1.0 C1C A:HEM418 3.1 27.1 1.0 C4B A:HEM418 3.1 27.9 1.0 C1B A:HEM418 3.1 27.4 1.0 CB A:CYS364 3.2 31.8 1.0 CHD A:HEM418 3.3 27.9 1.0 CHA A:HEM418 3.4 26.8 1.0 CHB A:HEM418 3.5 28.1 1.0 CHC A:HEM418 3.5 25.9 1.0 CA A:CYS364 4.0 33.1 1.0 O A:GLY255 4.0 38.9 1.0 C2D A:HEM418 4.2 29.3 1.0 C2A A:HEM418 4.2 27.0 1.0 C3D A:HEM418 4.3 27.4 1.0 C3A A:HEM418 4.3 27.3 1.0 C3C A:HEM418 4.3 27.6 1.0 C2C A:HEM418 4.3 27.3 1.0 C3B A:HEM418 4.3 30.0 1.0 C2B A:HEM418 4.4 28.8 1.0 C3 A:PEG419 4.5 51.9 1.0 N A:GLY366 4.5 32.0 1.0 C2 A:PEG419 4.6 53.3 1.0 O2 A:PEG419 4.6 52.9 1.0 C A:CYS364 4.7 32.5 1.0 N A:ALA365 4.7 31.7 1.0 C A:GLY255 4.7 39.0 1.0 CA A:GLY366 4.9 31.4 1.0 CA A:GLY255 5.0 39.4 1.0

W.Yang, S.G.Bell, H.Wang, W.Zhou, M.Bartlam, L.L.Wong, Z.Rao. The Structure of CYP101D2 Unveils A Potential Path For Substrate Entry Into the Active Site Biochem.J. V. 433 85 2011.
ISSN: ISSN 0264-6021
PubMed: 20950270
DOI: 10.1042/BJ20101017