Chlorine in PDB 6n7z: Crystal Structure of Human Fpps in Complex with An Allosteric Inhibitor Yf-02037

All present enzymatic activity of Crystal Structure of Human Fpps in Complex with An Allosteric Inhibitor Yf-02037:
2.5.1.1; 2.5.1.10;

The structure of Crystal Structure of Human Fpps in Complex with An Allosteric Inhibitor Yf-02037, PDB code: 6n7z was solved by J.Park, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.63 / 2.55
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.862, 110.862, 75.038, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 28.1

The binding sites of Chlorine atom in the Crystal Structure of Human Fpps in Complex with An Allosteric Inhibitor Yf-02037 (pdb code 6n7z). 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 Crystal Structure of Human Fpps in Complex with An Allosteric Inhibitor Yf-02037, PDB code: 6n7z:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Fpps in Complex with An Allosteric Inhibitor Yf-02037


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 Human Fpps in Complex with An Allosteric Inhibitor Yf-02037 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl403 b:92.0 occ:1.00 OD2 F:ASP80 3.0 99.0 1.0 CB F:ASP80 3.7 93.5 1.0 CG F:ASP80 3.8 96.7 1.0 NH2 F:ARG84 3.8 81.1 1.0 OD2 F:ASP78 4.0 0.5 1.0 CZ F:ARG84 4.7 79.9 1.0 NH1 F:ARG84 4.9 81.3 1.0 NE2 F:GLN150 4.9 80.3 1.0

Y.Feng, J.Park, S.G.Li, R.Boutin, P.Viereck, M.A.Schilling, A.M.Berghuis, Y.S.Tsantrizos. Chirality-Driven Mode of Binding of Alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (Hfpps). J.Med.Chem. V. 62 9691 2019.
ISSN: ISSN 0022-2623
PubMed: 31577901
DOI: 10.1021/ACS.JMEDCHEM.9B01104