Iron in PDB 6f0c: Cytochrome P450 Txtc Employs Substrate Conformational Switching For Sequential Aliphatic and Aromatic Thaxtomin Hydroxylation

The structure of Cytochrome P450 Txtc Employs Substrate Conformational Switching For Sequential Aliphatic and Aromatic Thaxtomin Hydroxylation, PDB code: 6f0c was solved by V.Fulop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.86 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.400, 84.500, 84.400, 90.00, 133.16, 90.00
R / Rfree (%)	16.2 / 18.7

The binding sites of Iron atom in the Cytochrome P450 Txtc Employs Substrate Conformational Switching For Sequential Aliphatic and Aromatic Thaxtomin Hydroxylation (pdb code 6f0c). 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 Cytochrome P450 Txtc Employs Substrate Conformational Switching For Sequential Aliphatic and Aromatic Thaxtomin Hydroxylation, PDB code: 6f0c:

Iron binding site 1 out of 1 in the Cytochrome P450 Txtc Employs Substrate Conformational Switching For Sequential Aliphatic and Aromatic Thaxtomin Hydroxylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 Txtc Employs Substrate Conformational Switching For Sequential Aliphatic and Aromatic Thaxtomin Hydroxylation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:30.0 occ:1.00 FE A:HEM401 0.0 30.0 1.0 ND A:HEM401 1.8 28.4 1.0 NB A:HEM401 2.0 32.1 1.0 NA A:HEM401 2.1 25.1 1.0 NC A:HEM401 2.1 25.6 1.0 SG A:CYS344 2.4 31.9 1.0 O1 A:OXY403 2.5 55.5 1.0 C1D A:HEM401 2.9 31.9 1.0 C4D A:HEM401 3.0 29.0 1.0 C1A A:HEM401 3.0 27.5 1.0 C4A A:HEM401 3.0 28.1 1.0 C4C A:HEM401 3.0 29.4 1.0 C1C A:HEM401 3.1 28.4 1.0 C1B A:HEM401 3.1 29.6 1.0 C4B A:HEM401 3.1 28.1 1.0 CB A:CYS344 3.3 28.9 1.0 CHD A:HEM401 3.4 30.1 1.0 CHA A:HEM401 3.4 28.3 1.0 CHC A:HEM401 3.4 30.2 1.0 CHB A:HEM401 3.4 27.8 1.0 O2 A:OXY403 3.5 44.0 1.0 CA A:CYS344 4.0 28.8 1.0 C2D A:HEM401 4.2 32.6 1.0 C3A A:HEM401 4.2 26.7 1.0 C3D A:HEM401 4.2 33.2 1.0 C2A A:HEM401 4.2 26.1 1.0 C3C A:HEM401 4.3 28.0 1.0 C2C A:HEM401 4.3 27.4 1.0 C2B A:HEM401 4.3 29.4 1.0 C3B A:HEM401 4.3 29.9 1.0 C5 A:C8B402 4.5 43.6 1.0 C4 A:C8B402 4.6 46.7 1.0 N A:GLY346 4.8 31.5 1.0 C A:CYS344 4.8 29.7 1.0 C3 A:C8B402 4.9 47.4 1.0 N A:VAL345 4.9 30.4 1.0 O A:GLY233 4.9 36.5 1.0 C6 A:C8B402 4.9 42.0 1.0

L.M.Alkhalaf, S.M.Barry, D.Rea, A.Gallo, D.Griffiths, J.R.Lewandowski, V.Fulop, G.L.Challis. Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D By Cytochrome P450 Txtc. J.Am.Chem.Soc. V. 141 216 2019.
ISSN: ESSN 1520-5126
PubMed: 30516965
DOI: 10.1021/JACS.8B08864