Iron in PDB 8e83: Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula

All present enzymatic activity of Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula:
1.14.14.87;

The structure of Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula, PDB code: 8e83 was solved by H.Pan, X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.70 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.119, 73.787, 148.671, 90, 93.48, 90
R / Rfree (%)	19.2 / 22.8

The binding sites of Iron atom in the Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula (pdb code 8e83). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula, PDB code: 8e83:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:22.8 occ:1.00 FE A:HEM600 0.0 22.8 1.0 NC A:HEM600 2.0 17.7 1.0 ND A:HEM600 2.0 18.8 1.0 NB A:HEM600 2.1 17.6 1.0 NA A:HEM600 2.1 18.8 1.0 O A:HOH914 2.5 27.6 1.0 SG A:CYS449 2.6 19.3 1.0 C1C A:HEM600 3.0 17.4 1.0 C1D A:HEM600 3.1 16.7 1.0 C4C A:HEM600 3.1 17.2 1.0 C4D A:HEM600 3.1 15.5 1.0 C4B A:HEM600 3.1 17.0 1.0 C1B A:HEM600 3.1 19.9 1.0 C4A A:HEM600 3.1 19.1 1.0 C1A A:HEM600 3.1 16.3 1.0 CHC A:HEM600 3.4 20.3 1.0 CHD A:HEM600 3.4 20.5 1.0 CHB A:HEM600 3.4 18.9 1.0 CHA A:HEM600 3.4 17.3 1.0 CB A:CYS449 3.5 16.6 1.0 C2C A:HEM600 4.3 21.2 1.0 C2D A:HEM600 4.3 18.7 1.0 C3C A:HEM600 4.3 23.3 1.0 C3D A:HEM600 4.3 19.8 1.0 C2B A:HEM600 4.3 21.1 1.0 C3B A:HEM600 4.3 25.7 1.0 C3A A:HEM600 4.3 16.2 1.0 C2A A:HEM600 4.3 18.5 1.0 CA A:CYS449 4.5 20.4 1.0 N A:GLY451 4.9 23.1 1.0

Iron binding site 2 out of 2 in the Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of 2-Hydroxyisoflavanone Synthase From Medicago Truncatula within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe600 b:34.6 occ:1.00 FE B:HEM600 0.0 34.6 1.0 NC B:HEM600 2.0 28.1 1.0 NB B:HEM600 2.1 28.0 1.0 ND B:HEM600 2.1 27.0 1.0 NA B:HEM600 2.1 27.2 1.0 O B:HOH849 2.5 33.0 1.0 SG B:CYS449 2.6 33.1 1.0 C1C B:HEM600 3.0 28.7 1.0 C1D B:HEM600 3.1 32.9 1.0 C4C B:HEM600 3.1 28.9 1.0 C1B B:HEM600 3.1 30.8 1.0 C4B B:HEM600 3.1 28.7 1.0 C4A B:HEM600 3.1 27.1 1.0 C4D B:HEM600 3.1 26.5 1.0 C1A B:HEM600 3.1 26.5 1.0 CHC B:HEM600 3.4 30.6 1.0 CHD B:HEM600 3.4 27.7 1.0 CHB B:HEM600 3.4 27.5 1.0 CHA B:HEM600 3.5 32.0 1.0 CB B:CYS449 3.5 33.7 1.0 C2C B:HEM600 4.3 34.3 1.0 C3C B:HEM600 4.3 31.5 1.0 C2B B:HEM600 4.3 31.3 1.0 C2D B:HEM600 4.3 35.7 1.0 C3B B:HEM600 4.3 31.2 1.0 C3D B:HEM600 4.3 31.8 1.0 C3A B:HEM600 4.3 31.9 1.0 C2A B:HEM600 4.3 32.3 1.0 CA B:CYS449 4.6 39.3 1.0 N B:GLY451 4.9 30.3 1.0

X.Wang, H.Pan, S.Sagurthi, V.Paris, C.Zhuo, R.A.Dixon. The Protein Conformational Basis of Isoflavone Biosynthesis. Commun Biol V. 5 1249 2022.
ISSN: ESSN 2399-3642
PubMed: 36376429
DOI: 10.1038/S42003-022-04222-X