Cobalt in PDB 5ywg: Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Mesotrione

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Mesotrione:
1.13.11.27;

The structure of Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Mesotrione, PDB code: 5ywg was solved by H.Y.Lin, W.C.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.76 / 2.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.719, 95.719, 195.170, 90.00, 90.00, 90.00
R / Rfree (%)	26.2 / 30.7

The binding sites of Cobalt atom in the Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Mesotrione (pdb code 5ywg). 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 Arabidopsis Thaliana Hppd Complexed with Mesotrione, PDB code: 5ywg:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Mesotrione


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 Arabidopsis Thaliana Hppd Complexed with Mesotrione within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:41.5 occ:1.00 O15 A:92L502 2.0 50.7 1.0 OE1 A:GLU394 2.1 35.7 1.0 O16 A:92L502 2.3 50.7 1.0 NE2 A:HIS308 2.4 42.5 1.0 NE2 A:HIS226 2.5 49.4 1.0 CD A:GLU394 2.9 37.1 1.0 C7 A:92L502 3.0 50.7 1.0 OE2 A:GLU394 3.0 36.8 1.0 C4 A:92L502 3.1 50.7 1.0 CD2 A:HIS308 3.3 40.5 1.0 CE1 A:HIS308 3.4 46.8 1.0 CD2 A:HIS226 3.4 36.1 1.0 CE1 A:HIS226 3.5 36.7 1.0 C5 A:92L502 3.6 50.7 1.0 O A:PHE419 4.0 42.7 1.0 C8 A:92L502 4.3 50.7 1.0 O19 A:92L502 4.3 50.7 1.0 CG A:GLU394 4.3 35.0 1.0 C3 A:92L502 4.4 50.7 1.0 CG A:HIS308 4.5 37.3 1.0 ND1 A:HIS308 4.5 50.0 1.0 CB A:ALA310 4.6 37.4 1.0 CG A:HIS226 4.6 38.9 1.0 ND1 A:HIS226 4.6 35.4 1.0 CG2 A:VAL228 4.6 42.1 1.0 CB A:GLU394 4.7 40.1 1.0 CE2 A:PHE381 4.7 49.9 1.0 CZ A:PHE381 4.8 43.8 1.0 CD1 A:PHE419 4.9 45.2 1.0 CB A:PHE419 4.9 42.4 1.0 C9 A:92L502 4.9 50.7 1.0 N17 A:92L502 5.0 50.7 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Mesotrione


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 Arabidopsis Thaliana Hppd Complexed with Mesotrione within 5.0Å range: probe atom residue distance (Å) B Occ B:Co501 b:48.4 occ:1.00 OE1 B:GLU394 2.1 45.5 1.0 O16 B:92L502 2.1 47.1 1.0 NE2 B:HIS226 2.2 48.1 1.0 O15 B:92L502 2.3 47.1 1.0 NE2 B:HIS308 2.5 40.6 1.0 CD B:GLU394 2.8 48.4 1.0 OE2 B:GLU394 3.0 49.1 1.0 CE1 B:HIS226 3.0 46.7 1.0 C7 B:92L502 3.3 47.1 1.0 CD2 B:HIS308 3.3 45.3 1.0 CD2 B:HIS226 3.4 40.2 1.0 C4 B:92L502 3.5 47.1 1.0 CE1 B:HIS308 3.5 39.7 1.0 C5 B:92L502 3.8 47.1 1.0 CG2 B:VAL228 4.2 38.6 1.0 ND1 B:HIS226 4.2 37.2 1.0 CG B:GLU394 4.2 41.9 1.0 O B:PHE419 4.3 54.5 1.0 CG B:HIS226 4.4 37.5 1.0 C8 B:92L502 4.5 47.1 1.0 CG B:HIS308 4.5 42.3 1.0 CB B:GLU394 4.6 44.8 1.0 CB B:ALA310 4.6 45.6 1.0 ND1 B:HIS308 4.6 41.1 1.0 CE2 B:PHE381 4.6 51.2 1.0 C3 B:92L502 4.7 47.1 1.0 CD2 B:PHE419 4.9 49.4 1.0 CZ B:PHE381 4.9 46.1 1.0

H.Y.Lin, J.F.Yang, D.W.Wang, G.F.Hao, J.Q.Dong, Y.X.Wang, W.C.Yang, J.W.Wu, C.G.Zhan, G.F.Yang. Molecular Insights Into the Mechanism of 4-Hydroxyphenylpyruvate Dioxygenase Inhibition: Enzyme Kinetics, X-Ray Crystallography and Computational Simulations. Febs J. V. 286 975 2019.
ISSN: ISSN 1742-4658
PubMed: 30632699
DOI: 10.1111/FEBS.14747