Chlorine in PDB 7cqr: Complex Structure of Hppd with Y16550

All present enzymatic activity of Complex Structure of Hppd with Y16550:
1.13.11.27;

The structure of Complex Structure of Hppd with Y16550, PDB code: 7cqr was solved by H.Y.Lin, G.F.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.11 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.085, 83.788, 63.024, 90, 100.32, 90
R / Rfree (%)	17.9 / 21.4

The structure of Complex Structure of Hppd with Y16550 also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Complex Structure of Hppd with Y16550 (pdb code 7cqr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Complex Structure of Hppd with Y16550, PDB code: 7cqr:

Chlorine binding site 1 out of 1 in the Complex Structure of Hppd with Y16550


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Structure of Hppd with Y16550 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:76.1 occ:1.00 CL1 A:GEU502 0.0 76.1 1.0 C27 A:GEU502 1.7 50.9 1.0 C26 A:GEU502 2.6 49.4 1.0 C28 A:GEU502 2.7 51.1 1.0 OE1 A:GLN293 3.3 45.8 1.0 CD A:GLN293 3.5 44.7 1.0 CB A:GLN293 3.7 37.1 1.0 CG A:GLN293 3.7 40.1 1.0 C13 A:GEU502 3.8 45.3 1.0 C29 A:GEU502 3.9 49.1 1.0 NE2 A:GLN293 4.1 45.3 1.0 C30 A:GEU502 4.3 52.2 1.0 CA A:GLN293 4.9 39.0 1.0 N09 A:GEU502 4.9 46.5 1.0

J.Dong, J.Dong, X.H.Yu, Y.C.Yan, J.X.Nan, B.He, B.Q.Ye, W.C.Yang, H.Y.Lin, G.F.Yang. Structural Insights of 4-Hydrophenylpyruvate Dioxygenase Inhibition By Structurally Diverse Small Molecules Adv Agrochem 2022.
ISSN: ESSN 2773-2371
DOI: 10.1016/J.AAC.2022.10.002