Iron in PDB 5ex8: Structure of P450 Staf From Glycopeptide Antibiotic A47934 Biosynthesis; Ethylene Glycol Cryo

The structure of Structure of P450 Staf From Glycopeptide Antibiotic A47934 Biosynthesis; Ethylene Glycol Cryo, PDB code: 5ex8 was solved by M.J.Cryle, V.Ulrich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.67 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.050, 110.050, 93.650, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 22.9

The binding sites of Iron atom in the Structure of P450 Staf From Glycopeptide Antibiotic A47934 Biosynthesis; Ethylene Glycol Cryo (pdb code 5ex8). 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 Staf From Glycopeptide Antibiotic A47934 Biosynthesis; Ethylene Glycol Cryo, PDB code: 5ex8:

Iron binding site 1 out of 1 in the Structure of P450 Staf From Glycopeptide Antibiotic A47934 Biosynthesis; Ethylene Glycol Cryo


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 Staf From Glycopeptide Antibiotic A47934 Biosynthesis; Ethylene Glycol Cryo within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.2 occ:1.00 FE A:HEM401 0.0 21.2 1.0 NC A:HEM401 2.0 20.2 1.0 NA A:HEM401 2.0 20.7 1.0 ND A:HEM401 2.1 20.9 1.0 NB A:HEM401 2.1 20.0 1.0 SG A:CYS342 2.2 23.3 1.0 O1 A:EDO402 2.3 37.1 1.0 C4C A:HEM401 3.0 21.3 1.0 C4A A:HEM401 3.0 20.8 1.0 C1A A:HEM401 3.1 21.9 1.0 C1C A:HEM401 3.1 21.2 1.0 C1D A:HEM401 3.1 21.9 1.0 C4D A:HEM401 3.1 21.2 1.0 C1B A:HEM401 3.1 20.1 1.0 C4B A:HEM401 3.1 21.4 1.0 C1 A:EDO402 3.3 39.3 1.0 CB A:CYS342 3.4 23.2 1.0 CHD A:HEM401 3.4 20.5 1.0 CHB A:HEM401 3.4 20.9 1.0 CHA A:HEM401 3.5 19.8 1.0 CHC A:HEM401 3.5 20.9 1.0 O2 A:EDO407 3.9 52.3 1.0 CA A:CYS342 4.0 23.8 1.0 C3C A:HEM401 4.3 21.6 1.0 C3A A:HEM401 4.3 22.4 1.0 C2A A:HEM401 4.3 21.6 1.0 C2C A:HEM401 4.3 21.3 1.0 C2D A:HEM401 4.3 22.1 1.0 C3D A:HEM401 4.4 21.1 1.0 C3B A:HEM401 4.4 21.7 1.0 C2B A:HEM401 4.4 21.2 1.0 OE1 A:GLN236 4.4 27.9 0.6 N A:GLY344 4.6 24.6 1.0 O1 A:EDO407 4.6 53.0 1.0 C2 A:EDO402 4.7 40.6 1.0 C A:CYS342 4.8 25.2 1.0 N A:LEU343 4.8 25.7 1.0

V.Ulrich, C.Brieke, M.J.Cryle. Biochemical and Structural Characterisation of the Second Oxidative Crosslinking Step During the Biosynthesis of the Glycopeptide Antibiotic A47934. Beilstein J Org Chem V. 12 2849 2016.
ISSN: ISSN 1860-5397
PubMed: 28144358
DOI: 10.3762/BJOC.12.284