Iron in PDB 4o1z: Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam

All present enzymatic activity of Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam:
1.14.99.1;

The structure of Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam, PDB code: 4o1z was solved by S.Xu, D.J.Hermanson, S.Banerjee, K.Ghebreselasie, G.M.Clayton, R.M.Garavito, L.J.Marnett, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.55 / 2.40
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	181.326, 181.326, 103.213, 90.00, 90.00, 120.00
R / Rfree (%)	15 / 17.3

The binding sites of Iron atom in the Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam (pdb code 4o1z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam, PDB code: 4o1z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam


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 Ovine Cyclooxygenase-1 Complex with Meloxicam within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:47.5 occ:1.00 FE A:HEM801 0.0 47.5 1.0 NC A:HEM801 2.0 46.7 1.0 NB A:HEM801 2.1 55.9 1.0 ND A:HEM801 2.1 48.9 1.0 NA A:HEM801 2.1 45.5 1.0 NE2 A:HIS388 2.5 50.9 1.0 C4C A:HEM801 3.0 38.1 1.0 C1C A:HEM801 3.0 56.5 1.0 C1D A:HEM801 3.0 41.4 1.0 C4B A:HEM801 3.1 47.1 1.0 C1B A:HEM801 3.1 46.1 1.0 C4A A:HEM801 3.1 51.8 1.0 C4D A:HEM801 3.1 41.8 1.0 C1A A:HEM801 3.1 51.0 1.0 CD2 A:HIS388 3.2 42.2 1.0 CHD A:HEM801 3.3 41.4 1.0 CHC A:HEM801 3.4 43.2 1.0 CE1 A:HIS388 3.4 57.0 1.0 CHB A:HEM801 3.5 46.8 1.0 CHA A:HEM801 3.5 47.3 1.0 C2C A:HEM801 4.2 50.9 1.0 C3C A:HEM801 4.2 43.6 1.0 C2D A:HEM801 4.3 46.5 1.0 CG A:HIS388 4.3 40.1 1.0 C3B A:HEM801 4.3 45.6 1.0 C2B A:HEM801 4.3 55.6 1.0 C3D A:HEM801 4.4 49.1 1.0 NE2 A:GLN203 4.4 38.2 1.0 C3A A:HEM801 4.4 55.6 1.0 C2A A:HEM801 4.4 46.5 1.0 ND1 A:HIS388 4.4 43.5 1.0 CE1 A:HIS207 4.6 44.1 1.0 NE2 A:HIS207 4.8 49.4 1.0 CG1 A:VAL447 4.9 51.0 1.0 CD A:GLN203 5.0 55.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:46.6 occ:1.00 FE B:HEM801 0.0 46.6 1.0 NC B:HEM801 2.0 42.8 1.0 NB B:HEM801 2.0 45.8 1.0 ND B:HEM801 2.1 55.8 1.0 NA B:HEM801 2.1 59.8 1.0 NE2 B:HIS388 2.5 57.1 1.0 C4C B:HEM801 3.0 48.8 1.0 C1C B:HEM801 3.0 48.3 1.0 C1D B:HEM801 3.1 51.1 1.0 C4B B:HEM801 3.1 45.0 1.0 C1B B:HEM801 3.1 47.9 1.0 C4D B:HEM801 3.1 52.8 1.0 C4A B:HEM801 3.1 46.9 1.0 C1A B:HEM801 3.1 52.3 1.0 CE1 B:HIS388 3.1 59.2 1.0 CHD B:HEM801 3.4 44.1 1.0 CHC B:HEM801 3.4 40.7 1.0 CD2 B:HIS388 3.4 47.5 1.0 CHB B:HEM801 3.5 56.7 1.0 CHA B:HEM801 3.5 53.4 1.0 NE2 B:GLN203 4.1 45.9 1.0 ND1 B:HIS388 4.1 52.1 1.0 C2C B:HEM801 4.2 49.8 1.0 C3C B:HEM801 4.2 48.6 1.0 C2B B:HEM801 4.3 48.6 1.0 C3B B:HEM801 4.3 54.6 1.0 C2D B:HEM801 4.3 39.5 1.0 C3D B:HEM801 4.3 52.3 1.0 CG B:HIS388 4.3 34.2 1.0 C3A B:HEM801 4.3 61.0 1.0 C2A B:HEM801 4.3 51.9 1.0 NE2 B:HIS207 4.6 56.6 1.0 CE1 B:HIS207 4.7 45.5 1.0 CD B:GLN203 4.8 42.5 1.0 CG B:GLN203 5.0 40.5 1.0

S.Xu, D.J.Hermanson, S.Banerjee, K.Ghebreselasie, G.M.Clayton, R.M.Garavito, L.J.Marnett. Oxicams Bind in A Novel Mode to the Cyclooxygenase Active Site Via A Two-Water-Mediated H-Bonding Network. J.Biol.Chem. V. 289 6799 2014.
ISSN: ISSN 0021-9258
PubMed: 24425867
DOI: 10.1074/JBC.M113.517987