Cobalt in PDB 5jvz: Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant

All present enzymatic activity of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant:
1.14.99.1;

The structure of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant, PDB code: 5jvz was solved by M.G.Malkowski, B.J.Orlando, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.62
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	119.923, 131.594, 179.981, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.9

The structure of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Cobalt atom in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant (pdb code 5jvz). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant, PDB code: 5jvz:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Co603 b:0.8 occ:1.00 CO A:COH603 0.0 0.8 1.0 ND A:COH603 2.1 99.7 1.0 NC A:COH603 2.1 97.0 1.0 NB A:COH603 2.1 0.7 1.0 NA A:COH603 2.1 0.5 1.0 C1A A:COH603 3.1 0.7 1.0 C4A A:COH603 3.1 0.9 1.0 C4D A:COH603 3.1 0.0 1.0 C1B A:COH603 3.1 99.8 1.0 C4B A:COH603 3.1 0.3 1.0 C1D A:COH603 3.1 95.5 1.0 C1C A:COH603 3.1 95.5 1.0 C4C A:COH603 3.1 92.6 1.0 CHA A:COH603 3.4 0.6 1.0 CHB A:COH603 3.4 0.7 1.0 CHC A:COH603 3.4 0.2 1.0 CHD A:COH603 3.5 94.0 1.0 NE2 A:HIS389 3.9 59.4 1.0 CD2 A:HIS389 4.1 43.5 1.0 C3A A:COH603 4.2 0.0 1.0 C2A A:COH603 4.2 0.6 1.0 C2B A:COH603 4.3 95.0 1.0 C3B A:COH603 4.3 97.1 1.0 C3D A:COH603 4.3 94.5 1.0 C2C A:COH603 4.3 84.9 1.0 C2D A:COH603 4.3 88.3 1.0 C3C A:COH603 4.3 81.3 1.0 CE1 A:HIS208 4.4 53.6 1.0 NE2 A:HIS208 4.5 41.4 1.0 CG1 A:VAL448 4.6 34.2 1.0 NE2 A:GLN204 4.8 41.4 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Co602 b:0.1 occ:1.00 CO B:COH602 0.0 0.1 1.0 NC B:COH602 2.1 92.5 1.0 NA B:COH602 2.1 0.7 1.0 ND B:COH602 2.1 84.4 1.0 NB B:COH602 2.1 0.1 1.0 C1D B:COH602 3.0 80.8 1.0 C4C B:COH602 3.0 85.1 1.0 C4A B:COH602 3.1 0.5 1.0 C1B B:COH602 3.1 1.0 1.0 C4D B:COH602 3.1 84.3 1.0 C1A B:COH602 3.1 99.5 1.0 C1C B:COH602 3.1 94.0 1.0 C4B B:COH602 3.1 99.7 1.0 CHD B:COH602 3.4 83.9 1.0 CHB B:COH602 3.4 0.6 1.0 CHA B:COH602 3.5 90.2 1.0 CHC B:COH602 3.5 0.7 1.0 CD2 B:HIS389 3.8 41.8 1.0 NE2 B:HIS389 3.8 50.4 1.0 C2D B:COH602 4.3 75.0 1.0 C3C B:COH602 4.3 78.8 1.0 C3D B:COH602 4.3 78.4 1.0 C3A B:COH602 4.3 0.1 1.0 C2C B:COH602 4.3 86.3 1.0 C2A B:COH602 4.3 0.8 1.0 C2B B:COH602 4.3 90.0 1.0 C3B B:COH602 4.3 84.2 1.0 CE1 B:HIS208 4.8 50.5 1.0 NE2 B:HIS208 4.8 40.5 1.0 NE2 B:GLN204 4.8 56.5 1.0

L.Dong, C.Yuan, B.J.Orlando, M.G.Malkowski, W.L.Smith. Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves A Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem. V. 291 25641 2016.
ISSN: ESSN 1083-351X
PubMed: 27756840
DOI: 10.1074/JBC.M116.757310