Iron in PDB 2brt: Anthocyanidin Synthase From Arabidopsis Thaliana Complexed with Naringenin

All present enzymatic activity of Anthocyanidin Synthase From Arabidopsis Thaliana Complexed with Naringenin:
1.14.11.19;

The structure of Anthocyanidin Synthase From Arabidopsis Thaliana Complexed with Naringenin, PDB code: 2brt was solved by J.J.Turnbull, I.J.Clifton, R.W.D.Welford, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.22 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.807, 62.309, 102.493, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 26.8

The binding sites of Iron atom in the Anthocyanidin Synthase From Arabidopsis Thaliana Complexed with Naringenin (pdb code 2brt). 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 Anthocyanidin Synthase From Arabidopsis Thaliana Complexed with Naringenin, PDB code: 2brt:

Iron binding site 1 out of 1 in the Anthocyanidin Synthase From Arabidopsis Thaliana Complexed with Naringenin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Anthocyanidin Synthase From Arabidopsis Thaliana Complexed with Naringenin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1350 b:31.7 occ:1.00 O2 A:AKG1351 2.1 39.7 1.0 O5 A:AKG1351 2.1 35.5 1.0 OD2 A:ASP234 2.1 51.5 1.0 O A:HOH2094 2.2 31.9 1.0 NE2 A:HIS288 2.3 44.0 1.0 NE2 A:HIS232 2.3 47.2 1.0 C2 A:AKG1351 2.8 38.5 1.0 C1 A:AKG1351 2.8 38.9 1.0 CG A:ASP234 3.1 43.8 1.0 CE1 A:HIS232 3.2 45.9 1.0 CD2 A:HIS288 3.3 43.9 1.0 CE1 A:HIS288 3.3 45.9 1.0 CD2 A:HIS232 3.3 44.5 1.0 OD1 A:ASP234 3.4 46.1 1.0 O A:HOH2105 3.9 40.8 1.0 O1 A:AKG1351 4.1 39.8 1.0 C3 A:AKG1351 4.2 38.6 1.0 ND1 A:HIS232 4.3 48.6 1.0 ND1 A:HIS288 4.4 46.2 1.0 CG A:HIS288 4.4 44.8 1.0 CG A:HIS232 4.5 44.2 1.0 CB A:ASP234 4.5 46.8 1.0 O2 A:NAR1352 4.5 60.9 1.0 CE2 A:PHE304 4.7 45.6 1.0 N A:ASP234 4.8 46.4 1.0 CA A:ASP234 4.8 46.2 1.0

R.W.D.Welford, I.J.Clifton, J.J.Turnbull, S.C.Wilson, C.J.Schofield. Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: the Effect of C-2 Stereochemistry on Product Selectivity and Mechanism Org.Biomol.Chem. V. 3 3117 2005.
ISSN: ISSN 1477-0520
PubMed: 16106293
DOI: 10.1039/B507153D