Cobalt in PDB 6ofy: Crystal Structure of Arachidonic Acid Bound to V349I Murine Cox-2

All present enzymatic activity of Crystal Structure of Arachidonic Acid Bound to V349I Murine Cox-2:
1.14.99.1;

The structure of Crystal Structure of Arachidonic Acid Bound to V349I Murine Cox-2, PDB code: 6ofy was solved by M.G.Malkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.29 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	123.150, 135.100, 182.880, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.5

The binding sites of Cobalt atom in the Crystal Structure of Arachidonic Acid Bound to V349I Murine Cox-2 (pdb code 6ofy). 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 Arachidonic Acid Bound to V349I Murine Cox-2, PDB code: 6ofy:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Arachidonic Acid Bound to V349I Murine Cox-2


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 Arachidonic Acid Bound to V349I Murine Cox-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co605 b:56.0 occ:0.78 CO A:COH605 0.0 56.0 0.8 NB A:COH605 1.9 53.5 0.8 NA A:COH605 1.9 59.5 0.8 NC A:COH605 2.0 58.1 0.8 ND A:COH605 2.1 62.3 0.8 NE2 A:HIS389 2.5 33.9 0.5 C4B A:COH605 2.9 53.2 0.8 C1B A:COH605 3.0 50.6 0.8 C1C A:COH605 3.0 57.3 0.8 C4A A:COH605 3.0 58.3 0.8 C1D A:COH605 3.1 61.6 0.8 C4C A:COH605 3.1 57.4 0.8 C1A A:COH605 3.1 65.8 0.8 C4D A:COH605 3.1 65.3 0.8 CHC A:COH605 3.2 59.4 0.8 CHB A:COH605 3.4 51.1 0.8 CHD A:COH605 3.4 57.8 0.8 CE1 A:HIS389 3.4 32.6 0.5 CD2 A:HIS389 3.5 32.7 0.5 CHA A:COH605 3.5 65.2 0.8 C3B A:COH605 4.2 51.2 0.8 NE2 A:GLN204 4.2 54.4 1.0 C2B A:COH605 4.2 49.6 0.8 C2C A:COH605 4.3 55.4 0.8 C3A A:COH605 4.3 62.2 0.8 C3C A:COH605 4.3 52.6 0.8 C2A A:COH605 4.3 68.9 0.8 C3D A:COH605 4.4 64.5 0.8 C2D A:COH605 4.4 59.2 0.8 ND1 A:HIS389 4.5 32.1 0.5 CE1 A:HIS208 4.5 59.4 1.0 NE2 A:HIS208 4.6 57.5 1.0 CG A:HIS389 4.6 33.6 0.5 CD A:GLN204 4.7 44.4 1.0 CD2 A:HIS389 4.8 32.4 0.5 CG A:GLN204 4.9 34.8 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Arachidonic Acid Bound to V349I Murine Cox-2


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 Arachidonic Acid Bound to V349I Murine Cox-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co605 b:51.4 occ:0.78 CO B:COH605 0.0 51.4 0.8 NB B:COH605 1.9 51.3 0.8 NA B:COH605 1.9 60.4 0.8 NC B:COH605 2.0 52.6 0.8 ND B:COH605 2.1 52.0 0.8 NE2 B:HIS389 2.3 29.2 0.5 C4B B:COH605 2.9 47.6 0.8 C1B B:COH605 3.0 45.9 0.8 C4A B:COH605 3.0 58.1 0.8 C1C B:COH605 3.0 49.1 0.8 C1D B:COH605 3.1 51.3 0.8 C4C B:COH605 3.1 49.6 0.8 C1A B:COH605 3.1 62.7 0.8 C4D B:COH605 3.1 53.7 0.8 CHC B:COH605 3.2 49.5 0.8 CE1 B:HIS389 3.3 29.2 0.5 CD2 B:HIS389 3.3 30.8 0.5 CHB B:COH605 3.4 51.6 0.8 CHD B:COH605 3.4 50.3 0.8 CHA B:COH605 3.5 54.7 0.8 C3B B:COH605 4.1 46.8 0.8 C2B B:COH605 4.2 45.9 0.8 C2C B:COH605 4.3 46.1 0.8 C3A B:COH605 4.3 61.0 0.8 C3C B:COH605 4.3 42.8 0.8 C2A B:COH605 4.3 67.1 0.8 C3D B:COH605 4.4 52.8 0.8 C2D B:COH605 4.4 51.6 0.8 ND1 B:HIS389 4.4 30.6 0.5 CG B:HIS389 4.4 32.7 0.5 NE2 B:GLN204 4.5 39.1 1.0 CE1 B:HIS208 4.6 54.3 1.0 NE2 B:HIS208 4.6 52.5 1.0 CD2 B:HIS389 4.8 32.0 0.5

L.Dong, A.J.Anderson, M.G.Malkowski. Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 By Aspirin and Celebrex. Biochemistry V. 58 3990 2019.
ISSN: ISSN 0006-2960
PubMed: 31469551
DOI: 10.1021/ACS.BIOCHEM.9B00659