Iron in PDB 3vrm: Structure of Cytochrome P450 Vdh Mutant T107A with Bound Vitamin D3

All present enzymatic activity of Structure of Cytochrome P450 Vdh Mutant T107A with Bound Vitamin D3:
1.14.13.15;

The structure of Structure of Cytochrome P450 Vdh Mutant T107A with Bound Vitamin D3, PDB code: 3vrm was solved by T.Nishioka, Y.Yasutake, T.Tamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.57
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	61.421, 105.521, 141.988, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23.1

The binding sites of Iron atom in the Structure of Cytochrome P450 Vdh Mutant T107A with Bound Vitamin D3 (pdb code 3vrm). 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 Structure of Cytochrome P450 Vdh Mutant T107A with Bound Vitamin D3, PDB code: 3vrm:

Iron binding site 1 out of 1 in the Structure of Cytochrome P450 Vdh Mutant T107A with Bound Vitamin D3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Cytochrome P450 Vdh Mutant T107A with Bound Vitamin D3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:45.6 occ:1.00 FE A:HEM501 0.0 45.6 1.0 NC A:HEM501 1.9 39.9 1.0 NA A:HEM501 2.0 38.8 1.0 NB A:HEM501 2.1 42.7 1.0 ND A:HEM501 2.1 38.7 1.0 SG A:CYS347 2.4 47.2 1.0 C1C A:HEM501 3.0 40.8 1.0 C4C A:HEM501 3.0 38.5 1.0 C4A A:HEM501 3.0 38.1 1.0 C1A A:HEM501 3.1 38.2 1.0 C4B A:HEM501 3.1 43.7 1.0 C1D A:HEM501 3.1 39.4 1.0 CB A:CYS347 3.2 45.5 1.0 C4D A:HEM501 3.2 42.3 1.0 C1B A:HEM501 3.2 39.9 1.0 CHC A:HEM501 3.4 44.9 1.0 CHD A:HEM501 3.5 39.4 1.0 CHB A:HEM501 3.5 37.5 1.0 CHA A:HEM501 3.6 40.0 1.0 CA A:CYS347 3.7 46.2 1.0 C26 A:VD3502 3.9 65.3 0.5 C26 A:VD3502 4.1 64.0 0.5 C3C A:HEM501 4.2 42.7 1.0 C2C A:HEM501 4.3 42.2 1.0 C3A A:HEM501 4.3 38.0 1.0 C2A A:HEM501 4.3 40.5 1.0 C3B A:HEM501 4.4 41.5 1.0 N A:LEU348 4.4 48.2 1.0 C A:CYS347 4.4 47.9 1.0 C2D A:HEM501 4.5 39.9 1.0 C3D A:HEM501 4.5 41.9 1.0 C2B A:HEM501 4.5 41.6 1.0 N A:GLY349 4.6 51.5 1.0 N A:CYS347 4.9 47.6 1.0 CD1 A:PHE340 5.0 47.6 1.0

Y.Yasutake, T.Nishioka, N.Imoto, T.Tamura. A Single Mutation at the Ferredoxin Binding Site of P450 Vdh Enables Efficient Biocatalytic Production of 25-Hydroxyvitamin D3. Chembiochem V. 14 2284 2013.
ISSN: ISSN 1439-4227
PubMed: 24115473
DOI: 10.1002/CBIC.201300386