Chlorine in PDB 6isd: Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione

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

The structure of Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione, PDB code: 6isd was solved by W.C.Yang, G.F.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.75 / 2.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.571, 95.571, 198.813, 90.00, 90.00, 90.00
R / Rfree (%)	25.8 / 29.4

The structure of Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione (pdb code 6isd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione, PDB code: 6isd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:37.2 occ:1.00 CLA A:5BQ600 0.0 37.2 1.0 CAQ A:5BQ600 1.8 28.0 1.0 CAJ A:5BQ600 2.7 21.5 1.0 CAS A:5BQ600 2.7 34.5 1.0 CAP A:5BQ600 3.0 29.9 1.0 OAD A:5BQ600 3.6 41.2 1.0 CE2 A:PHE381 3.6 23.2 1.0 CZ A:PHE392 3.7 20.6 1.0 CE1 A:HIS308 3.8 23.8 1.0 CE2 A:PHE392 3.9 20.7 1.0 CZ A:PHE381 3.9 27.8 1.0 ND1 A:HIS308 3.9 28.8 1.0 CAR A:5BQ600 4.0 44.4 1.0 CAI A:5BQ600 4.0 24.9 1.0 OAC A:5BQ600 4.1 29.5 1.0 OE1 A:GLN307 4.2 39.5 1.0 NE2 A:GLN307 4.3 24.8 1.0 CD2 A:PHE381 4.3 19.8 1.0 CAT A:5BQ600 4.4 31.6 1.0 CAO A:5BQ600 4.5 35.2 1.0 CAH A:5BQ600 4.5 41.5 1.0 CD A:GLN307 4.6 24.0 1.0 NE2 A:HIS308 4.6 23.3 1.0 CE1 A:PHE381 4.8 27.7 1.0 CG A:HIS308 4.8 20.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Arabidopsis Thaliana Hppd Complexed with Sulcotrione within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:28.8 occ:1.00 CLA B:5BQ501 0.0 28.8 1.0 CAQ B:5BQ501 1.8 33.6 1.0 CAS B:5BQ501 2.7 48.3 1.0 CAJ B:5BQ501 2.7 23.0 1.0 CAP B:5BQ501 3.0 37.9 1.0 CZ B:PHE392 3.6 20.9 1.0 CE1 B:PHE381 3.6 22.9 1.0 CE1 B:HIS308 3.7 23.9 1.0 OAD B:5BQ501 3.7 40.7 1.0 ND1 B:HIS308 3.9 23.6 1.0 OAC B:5BQ501 3.9 32.5 1.0 CE2 B:PHE392 4.0 18.9 1.0 CZ B:PHE381 4.0 25.6 1.0 CAI B:5BQ501 4.0 38.5 1.0 CAR B:5BQ501 4.0 28.5 1.0 CD1 B:PHE381 4.2 23.5 1.0 CAT B:5BQ501 4.2 34.2 1.0 CAO B:5BQ501 4.2 30.4 1.0 NE2 B:GLN307 4.3 22.0 1.0 OE1 B:GLN307 4.4 40.1 1.0 NE2 B:HIS308 4.5 21.2 1.0 CAH B:5BQ501 4.5 36.8 1.0 CD B:GLN307 4.7 24.6 1.0 CE2 B:PHE381 4.8 29.6 1.0 CE1 B:PHE392 4.8 19.9 1.0 CG B:HIS308 4.8 22.0 1.0 CG B:PHE381 5.0 29.0 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