Iron in PDB 7pq1: Ligand-Free Crystal Structure of A Staphylococcal Orthologue of CYP134A1

All present enzymatic activity of Ligand-Free Crystal Structure of A Staphylococcal Orthologue of CYP134A1:
1.14.15.13;

The structure of Ligand-Free Crystal Structure of A Staphylococcal Orthologue of CYP134A1, PDB code: 7pq1 was solved by M.Snee, C.Levy, D.Leys, M.Katariya, A.W.Munro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.52 / 2.46
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.414, 109.222, 105.59, 90, 90, 90
R / Rfree (%)	21.4 / 25.2

The binding sites of Iron atom in the Ligand-Free Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (pdb code 7pq1). 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 Ligand-Free Crystal Structure of A Staphylococcal Orthologue of CYP134A1, PDB code: 7pq1:

Iron binding site 1 out of 1 in the Ligand-Free Crystal Structure of A Staphylococcal Orthologue of CYP134A1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ligand-Free Crystal Structure of A Staphylococcal Orthologue of CYP134A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:38.1 occ:1.00 FE A:HEM401 0.0 38.1 1.0 ND A:HEM401 2.0 30.2 1.0 NB A:HEM401 2.0 35.3 1.0 NC A:HEM401 2.1 40.7 1.0 NA A:HEM401 2.1 45.2 1.0 SG A:CYS350 2.3 30.7 1.0 C1D A:HEM401 3.0 37.8 0.6 C1B A:HEM401 3.1 37.1 0.6 C1C A:HEM401 3.1 33.7 1.0 C4B A:HEM401 3.1 40.3 0.5 C4D A:HEM401 3.1 38.4 1.0 C4C A:HEM401 3.1 36.1 0.7 C4A A:HEM401 3.1 38.7 0.7 C1A A:HEM401 3.1 32.1 1.0 CB A:CYS350 3.3 45.6 1.0 CHD A:HEM401 3.4 34.5 1.0 CHB A:HEM401 3.4 36.8 1.0 CHC A:HEM401 3.4 36.3 0.9 CHA A:HEM401 3.5 37.0 0.8 CA A:CYS350 4.1 45.0 1.0 O A:ALA231 4.1 39.8 1.0 C2C A:HEM401 4.3 39.7 0.6 C2D A:HEM401 4.3 38.6 0.6 C2B A:HEM401 4.3 37.0 1.0 C3D A:HEM401 4.3 36.2 1.0 C3C A:HEM401 4.3 41.2 1.0 C3B A:HEM401 4.3 38.7 1.0 C3A A:HEM401 4.3 40.8 1.0 C2A A:HEM401 4.3 38.9 0.3 CB A:ALA231 4.5 42.0 1.0 C A:ALA231 4.9 39.8 1.0 C A:CYS350 4.9 36.1 1.0 N A:GLY352 5.0 34.6 1.0

M.Snee, M.Katariya. Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with Cyclo-L-Leucyl-L-Leucine To Be Published.