Iron in PDB 3wec: Structure of P450 Raua (CYP1050A1) Complexed with A Biosynthetic Intermediate of Aurachin Re

The structure of Structure of P450 Raua (CYP1050A1) Complexed with A Biosynthetic Intermediate of Aurachin Re, PDB code: 3wec was solved by Y.Yasutake, W.Kitagawa, T.Tamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.19
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.460, 100.040, 52.290, 90.00, 108.72, 90.00
R / Rfree (%)	21.4 / 26.3

The binding sites of Iron atom in the Structure of P450 Raua (CYP1050A1) Complexed with A Biosynthetic Intermediate of Aurachin Re (pdb code 3wec). 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 P450 Raua (CYP1050A1) Complexed with A Biosynthetic Intermediate of Aurachin Re, PDB code: 3wec:

Iron binding site 1 out of 1 in the Structure of P450 Raua (CYP1050A1) Complexed with A Biosynthetic Intermediate of Aurachin Re


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of P450 Raua (CYP1050A1) Complexed with A Biosynthetic Intermediate of Aurachin Re within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:24.4 occ:1.00 FE A:HEM501 0.0 24.4 1.0 NC A:HEM501 1.9 22.4 1.0 NA A:HEM501 2.0 25.4 1.0 NB A:HEM501 2.1 25.5 1.0 ND A:HEM501 2.1 27.5 1.0 SG A:CYS361 2.4 22.6 1.0 O A:HOH601 2.5 21.5 1.0 C4C A:HEM501 3.0 21.4 1.0 C1C A:HEM501 3.0 23.9 1.0 C1A A:HEM501 3.1 24.3 1.0 C1D A:HEM501 3.1 24.7 1.0 C4B A:HEM501 3.1 25.8 1.0 C4A A:HEM501 3.1 24.8 1.0 C4D A:HEM501 3.2 26.0 1.0 C1B A:HEM501 3.2 26.5 1.0 CHD A:HEM501 3.4 22.7 1.0 CHC A:HEM501 3.5 24.0 1.0 CHA A:HEM501 3.5 25.1 1.0 CB A:CYS361 3.6 23.9 1.0 CHB A:HEM501 3.6 25.0 1.0 C3C A:HEM501 4.2 25.5 1.0 CA A:CYS361 4.2 24.8 1.0 C2C A:HEM501 4.3 25.0 1.0 N10 A:AUI502 4.3 32.2 1.0 C2A A:HEM501 4.4 28.2 1.0 C3A A:HEM501 4.4 29.6 1.0 C3B A:HEM501 4.4 24.8 1.0 C2D A:HEM501 4.4 26.7 1.0 C3D A:HEM501 4.5 26.7 1.0 C2B A:HEM501 4.5 23.9 1.0 C8 A:AUI502 4.6 31.3 1.0 C A:CYS361 4.7 24.6 1.0 O A:ALA253 4.7 22.3 1.0 C9 A:AUI502 4.8 35.2 1.0 CB A:ALA253 4.8 20.4 1.0 N A:GLY363 4.8 28.1 1.0

Y.Yasutake, W.Kitagawa, M.Hata, T.Nishioka, T.Ozaki, M.Nishiyama, T.Kuzuyama, T.Tamura. Structure of the Quinoline N-Hydroxylating Cytochrome P450 Raua, An Essential Enzyme That Confers Antibiotic Activity on Aurachin Alkaloids Febs Lett. V. 588 105 2014.
ISSN: ISSN 0014-5793
PubMed: 24269679
DOI: 10.1016/J.FEBSLET.2013.11.016