Cobalt in PDB 8jbw: Crystal Structure of Zthppd-(+)-Usnic Acid Complex

All present enzymatic activity of Crystal Structure of Zthppd-(+)-Usnic Acid Complex:
1.13.11.27;

The structure of Crystal Structure of Zthppd-(+)-Usnic Acid Complex, PDB code: 8jbw was solved by H.-Y.Lin, J.Dong, G.-F.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.35 / 2.65
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.348, 110.348, 80.849, 90, 90, 90
R / Rfree (%)	25.3 / 30.3

The binding sites of Cobalt atom in the Crystal Structure of Zthppd-(+)-Usnic Acid Complex (pdb code 8jbw). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Crystal Structure of Zthppd-(+)-Usnic Acid Complex, PDB code: 8jbw:

Cobalt binding site 1 out of 1 in the Crystal Structure of Zthppd-(+)-Usnic Acid Complex


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 Zthppd-(+)-Usnic Acid Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:78.8 occ:1.00 OE1 A:GLU387 1.8 84.1 1.0 O17 A:AIY502 2.2 43.1 1.0 OE2 A:GLU387 2.3 87.0 1.0 CD A:GLU387 2.3 83.2 1.0 O14 A:AIY502 2.5 45.9 1.0 NE2 A:GLN372 2.7 79.8 1.0 NE2 A:HIS221 2.9 74.2 1.0 CE1 A:HIS221 3.3 74.8 1.0 O A:PHE397 3.4 85.3 1.0 C15 A:AIY502 3.6 49.6 1.0 NE2 A:HIS304 3.6 84.7 1.0 C4 A:AIY502 3.7 49.4 1.0 CG A:GLU387 3.9 79.8 1.0 CD A:GLN372 3.9 79.6 1.0 CD2 A:HIS304 4.1 73.8 1.0 CZ A:PHE374 4.1 83.5 1.0 CD2 A:HIS221 4.2 70.7 1.0 C5 A:AIY502 4.2 50.4 1.0 C A:PHE397 4.4 88.5 1.0 C16 A:AIY502 4.5 43.6 1.0 CG A:GLN372 4.5 74.0 1.0 CB A:GLU387 4.6 74.1 1.0 ND1 A:HIS221 4.6 71.4 1.0 CE1 A:HIS304 4.7 81.3 1.0 CE1 A:PHE374 4.8 83.9 1.0 CB A:ALA306 4.8 71.2 1.0 OE1 A:GLN372 4.8 77.8 1.0 CD1 A:PHE397 4.9 81.3 1.0 CA A:PHE397 4.9 78.0 1.0 CE2 A:PHE374 5.0 83.3 1.0

X.H.Yu, J.Dong, C.P.Fan, M.X.Chen, M.Li, B.F.Zheng, Y.F.Hu, H.Y.Lin, G.F.Yang. Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase As A Novel Crop Fungicide Target. J.Agric.Food Chem. V. 71 19396 2023.
ISSN: ESSN 1520-5118
PubMed: 38035573
DOI: 10.1021/ACS.JAFC.3C05260