Iron in PDB 3dan: Crystal Structure of Allene Oxide Synthase

All present enzymatic activity of Crystal Structure of Allene Oxide Synthase:
4.2.1.92;

The structure of Crystal Structure of Allene Oxide Synthase, PDB code: 3dan was solved by L.Li, X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.37 / 1.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	113.488, 113.488, 163.846, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.8

The binding sites of Iron atom in the Crystal Structure of Allene Oxide Synthase (pdb code 3dan). 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 Allene Oxide Synthase, PDB code: 3dan:

Iron binding site 1 out of 1 in the Crystal Structure of Allene Oxide Synthase


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 Allene Oxide Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:11.8 occ:1.00 FE A:HEM600 0.0 11.8 1.0 NC A:HEM600 2.0 13.5 1.0 NA A:HEM600 2.0 11.7 1.0 ND A:HEM600 2.0 12.1 1.0 NB A:HEM600 2.0 13.6 1.0 SG A:CYS426 2.6 11.1 1.0 C1D A:HEM600 3.0 14.0 1.0 C4C A:HEM600 3.0 13.2 1.0 C1C A:HEM600 3.0 14.6 1.0 C1B A:HEM600 3.0 14.3 1.0 C4D A:HEM600 3.0 12.3 1.0 C4A A:HEM600 3.0 12.3 1.0 C1A A:HEM600 3.1 12.7 1.0 C4B A:HEM600 3.1 15.3 1.0 CHD A:HEM600 3.4 15.5 1.0 CHB A:HEM600 3.4 13.1 1.0 CHA A:HEM600 3.4 13.5 1.0 CHC A:HEM600 3.4 13.0 1.0 CB A:CYS426 3.5 9.5 1.0 O A:HOH782 3.5 32.8 1.0 CA A:CYS426 4.1 9.8 1.0 C3A A:HEM600 4.3 13.1 1.0 C2A A:HEM600 4.3 12.4 1.0 C2C A:HEM600 4.3 16.9 1.0 C3D A:HEM600 4.3 13.3 1.0 C2D A:HEM600 4.3 14.9 1.0 C2B A:HEM600 4.3 15.2 1.0 C3B A:HEM600 4.3 16.2 1.0 CB A:ASN276 4.3 15.9 1.0 C3C A:HEM600 4.3 16.2 1.0 OD1 A:ASN276 4.3 19.4 1.0 CG A:ASN276 4.6 19.8 1.0 N A:ALA427 4.7 8.9 1.0 C A:CYS426 4.7 9.6 1.0 O A:HOH753 4.8 34.4 1.0 N A:GLY428 5.0 9.9 1.0

L.Li, Z.Chang, Z.Pan, Z.Q.Fu, X.Wang. Modes of Heme Binding and Substrate Access For Cytochrome P450 CYP74A Revealed By Crystal Structures of Allene Oxide Synthase. Proc.Natl.Acad.Sci.Usa V. 105 13883 2008.
ISSN: ISSN 0027-8424
PubMed: 18787124
DOI: 10.1073/PNAS.0804099105