Iron in PDB 7jxt: Structure of the Ovine Cox-1 Bound to Compound 2A

All present enzymatic activity of Structure of the Ovine Cox-1 Bound to Compound 2A:
1.14.99.1;

The structure of Structure of the Ovine Cox-1 Bound to Compound 2A, PDB code: 7jxt was solved by Y.Ko, M.Iaselli, M.Miciaccia, L.Friedrich, G.Schneider, A.Scilimati, G.Cingolani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.99 / 3.35
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	181.6, 181.6, 103.401, 90, 90, 120
R / Rfree (%)	21 / 25

The structure of Structure of the Ovine Cox-1 Bound to Compound 2A also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the Structure of the Ovine Cox-1 Bound to Compound 2A (pdb code 7jxt). 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 the Ovine Cox-1 Bound to Compound 2A, PDB code: 7jxt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the Ovine Cox-1 Bound to Compound 2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Ovine Cox-1 Bound to Compound 2A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:136.2 occ:1.00 FE A:HEM601 0.0 136.2 1.0 NB A:HEM601 2.1 130.9 1.0 ND A:HEM601 2.1 144.2 1.0 NC A:HEM601 2.1 129.6 1.0 NA A:HEM601 2.1 137.7 1.0 NE2 A:HIS388 2.9 123.1 1.0 HD2 A:HIS388 3.0 116.8 1.0 C1D A:HEM601 3.0 145.1 1.0 C1C A:HEM601 3.1 124.9 1.0 C4D A:HEM601 3.1 137.5 1.0 C4A A:HEM601 3.1 121.7 1.0 C4B A:HEM601 3.1 126.1 1.0 C1B A:HEM601 3.1 123.9 1.0 C1A A:HEM601 3.1 147.2 1.0 C4C A:HEM601 3.1 132.5 1.0 CD2 A:HIS388 3.2 116.1 1.0 CHD A:HEM601 3.4 137.4 1.0 CHC A:HEM601 3.4 126.5 1.0 CHB A:HEM601 3.4 121.7 1.0 CHA A:HEM601 3.4 145.6 1.0 HE21 A:GLN203 3.7 116.0 1.0 HE1 A:HIS207 3.9 126.3 1.0 NE2 A:GLN203 4.0 120.1 1.0 CE1 A:HIS388 4.0 127.2 1.0 HG3 A:GLN203 4.1 110.2 1.0 HE22 A:GLN203 4.2 116.0 1.0 HG11 A:VAL447 4.3 126.1 1.0 C2D A:HEM601 4.3 147.3 1.0 C3D A:HEM601 4.3 138.3 1.0 C3A A:HEM601 4.3 127.8 1.0 C2C A:HEM601 4.3 119.7 1.0 C2A A:HEM601 4.3 145.8 1.0 C2B A:HEM601 4.3 111.0 1.0 C3B A:HEM601 4.3 116.0 1.0 C3C A:HEM601 4.3 121.4 1.0 HHD A:HEM601 4.4 136.9 1.0 HHC A:HEM601 4.4 126.1 1.0 HHA A:HEM601 4.4 145.2 1.0 HHB A:HEM601 4.4 121.3 1.0 HE1 A:HIS388 4.4 128.3 1.0 CG A:HIS388 4.5 122.2 1.0 HG21 A:VAL447 4.6 121.6 1.0 CD A:GLN203 4.6 123.4 1.0 CE1 A:HIS207 4.6 127.0 1.0 ND1 A:HIS388 4.8 128.3 1.0 CG A:GLN203 4.9 112.5 1.0 NE2 A:HIS207 4.9 138.5 1.0

Iron binding site 2 out of 2 in the Structure of the Ovine Cox-1 Bound to Compound 2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Ovine Cox-1 Bound to Compound 2A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:135.3 occ:1.00 FE B:HEM601 0.0 135.3 1.0 NB B:HEM601 2.0 129.5 1.0 NA B:HEM601 2.0 137.5 1.0 ND B:HEM601 2.1 135.8 1.0 NC B:HEM601 2.1 120.2 1.0 NE2 B:HIS388 2.8 118.5 1.0 C1D B:HEM601 3.0 134.7 1.0 C4D B:HEM601 3.1 133.1 1.0 C4A B:HEM601 3.1 124.8 1.0 C1B B:HEM601 3.1 127.2 1.0 C4B B:HEM601 3.1 130.9 1.0 C1C B:HEM601 3.1 117.8 1.0 C1A B:HEM601 3.1 148.9 1.0 C4C B:HEM601 3.1 120.7 1.0 HD2 B:HIS388 3.1 116.1 1.0 CD2 B:HIS388 3.2 116.8 1.0 CHB B:HEM601 3.4 121.0 1.0 CHD B:HEM601 3.4 126.7 1.0 CHC B:HEM601 3.4 126.0 1.0 CHA B:HEM601 3.4 144.8 1.0 HE1 B:HIS207 3.7 125.7 1.0 HE21 B:GLN203 3.7 115.8 1.0 CE1 B:HIS388 3.9 119.6 1.0 NE2 B:GLN203 3.9 118.8 1.0 HG3 B:GLN203 4.0 121.0 1.0 HE22 B:GLN203 4.1 115.8 1.0 C2D B:HEM601 4.2 139.5 1.0 C3D B:HEM601 4.2 136.3 1.0 HE1 B:HIS388 4.3 119.5 1.0 C3A B:HEM601 4.3 131.1 1.0 C2B B:HEM601 4.3 121.6 1.0 C3B B:HEM601 4.3 127.2 1.0 C2A B:HEM601 4.3 146.1 1.0 C2C B:HEM601 4.3 118.8 1.0 C3C B:HEM601 4.3 117.6 1.0 HG11 B:VAL447 4.3 123.3 1.0 HHC B:HEM601 4.4 127.5 1.0 HHB B:HEM601 4.4 122.5 1.0 HHA B:HEM601 4.4 146.3 1.0 HHD B:HEM601 4.4 128.2 1.0 CE1 B:HIS207 4.4 123.4 1.0 CG B:HIS388 4.5 116.0 1.0 CD B:GLN203 4.5 124.3 1.0 NE2 B:HIS207 4.7 125.2 1.0 ND1 B:HIS388 4.7 118.1 1.0 CG B:GLN203 4.8 122.0 1.0 HG21 B:VAL447 4.8 125.5 1.0

G.Cingolani, Y.Ko, M.Iaselli. Structure of the Ovine Cox-1 Bound to Lf-Mp-1A To Be Published.