Iron in PDB 3n8v: Crystal Structure of Unoccupied Cyclooxygenase-1

All present enzymatic activity of Crystal Structure of Unoccupied Cyclooxygenase-1:
1.14.99.1;

The structure of Crystal Structure of Unoccupied Cyclooxygenase-1, PDB code: 3n8v was solved by R.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.20 / 3.05
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	181.907, 181.907, 102.579, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.5

The binding sites of Iron atom in the Crystal Structure of Unoccupied Cyclooxygenase-1 (pdb code 3n8v). 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 Unoccupied Cyclooxygenase-1, PDB code: 3n8v:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Unoccupied Cyclooxygenase-1


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 Unoccupied Cyclooxygenase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:72.6 occ:1.00 FE A:HEM801 0.0 72.6 1.0 NC A:HEM801 2.1 71.6 1.0 NB A:HEM801 2.1 74.6 1.0 NA A:HEM801 2.1 73.8 1.0 ND A:HEM801 2.1 70.7 1.0 CE1 A:HIS388 2.9 70.4 1.0 C4B A:HEM801 3.0 74.7 1.0 C1B A:HEM801 3.0 75.9 1.0 C1C A:HEM801 3.1 72.3 1.0 C4C A:HEM801 3.1 70.1 1.0 C4A A:HEM801 3.1 75.5 1.0 C1D A:HEM801 3.1 69.4 1.0 C1A A:HEM801 3.1 73.3 1.0 C4D A:HEM801 3.1 70.4 1.0 CHC A:HEM801 3.4 73.7 1.0 CHB A:HEM801 3.4 76.3 1.0 CHD A:HEM801 3.4 69.1 1.0 NE2 A:HIS388 3.5 69.4 1.0 CHA A:HEM801 3.5 71.7 1.0 ND1 A:HIS388 3.9 71.5 1.0 NE2 A:GLN203 4.1 68.7 1.0 C3B A:HEM801 4.2 76.1 1.0 C2B A:HEM801 4.2 76.7 1.0 C2C A:HEM801 4.3 71.4 1.0 C3C A:HEM801 4.3 70.0 1.0 C3A A:HEM801 4.3 76.0 1.0 C2A A:HEM801 4.4 74.8 1.0 C2D A:HEM801 4.4 68.5 1.0 C3D A:HEM801 4.4 69.0 1.0 CD2 A:HIS388 4.6 69.6 1.0 CE1 A:HIS207 4.8 66.0 1.0 CG A:HIS388 4.8 70.9 1.0 CG1 A:VAL447 4.8 71.5 1.0 CD A:GLN203 4.9 68.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Unoccupied Cyclooxygenase-1


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 Unoccupied Cyclooxygenase-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1801 b:71.4 occ:1.00 FE B:HEM1801 0.0 71.4 1.0 NC B:HEM1801 2.1 70.1 1.0 NB B:HEM1801 2.1 72.6 1.0 NA B:HEM1801 2.1 72.6 1.0 ND B:HEM1801 2.1 70.0 1.0 CE1 B:HIS388 2.8 67.3 1.0 C1B B:HEM1801 3.1 73.8 1.0 C4B B:HEM1801 3.1 72.4 1.0 C1C B:HEM1801 3.1 70.3 1.0 C4C B:HEM1801 3.1 69.0 1.0 C4A B:HEM1801 3.1 73.9 1.0 C1A B:HEM1801 3.1 72.6 1.0 C1D B:HEM1801 3.1 69.0 1.0 C4D B:HEM1801 3.1 70.2 1.0 NE2 B:HIS388 3.4 66.4 1.0 CHC B:HEM1801 3.4 71.3 1.0 CHB B:HEM1801 3.4 74.4 1.0 CHD B:HEM1801 3.4 68.5 1.0 CHA B:HEM1801 3.5 71.3 1.0 ND1 B:HIS388 3.7 68.0 1.0 NE2 B:GLN203 4.0 66.2 1.0 C2B B:HEM1801 4.3 74.4 1.0 C3B B:HEM1801 4.3 73.6 1.0 C2C B:HEM1801 4.3 69.4 1.0 C3C B:HEM1801 4.3 68.6 1.0 C3A B:HEM1801 4.3 74.8 1.0 C2A B:HEM1801 4.3 74.0 1.0 CE1 B:HIS207 4.3 64.6 1.0 C2D B:HEM1801 4.4 68.5 1.0 C3D B:HEM1801 4.4 69.3 1.0 CD2 B:HIS388 4.5 66.5 1.0 NE2 B:HIS207 4.6 65.3 1.0 CG B:HIS388 4.7 67.5 1.0 CD B:GLN203 4.7 65.2 1.0 CG B:GLN203 4.8 64.0 1.0

R.S.Sidhu, J.Y.Lee, C.Yuan, W.L.Smith. Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk Between Monomers Comprising Cyclooxygenase-1 Homodimers Biochemistry V. 49 7069 2010.
ISSN: ISSN 0006-2960
PubMed: 20669977
DOI: 10.1021/BI1003298