Chlorine in PDB 3n1w: Human Fpps Complex with FBS_02

All present enzymatic activity of Human Fpps Complex with FBS_02:
2.5.1.1; 2.5.1.10;

The structure of Human Fpps Complex with FBS_02, PDB code: 3n1w was solved by J.-M.Rondeau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.36 / 2.56
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.332, 111.332, 76.248, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Human Fpps Complex with FBS_02 (pdb code 3n1w). 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 Human Fpps Complex with FBS_02, PDB code: 3n1w:

Chlorine binding site 1 out of 1 in the Human Fpps Complex with FBS_02


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Fpps Complex with FBS_02 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1 b:99.3 occ:1.00 CL1 F:3N21 0.0 99.3 1.0 C2 F:3N21 1.7 94.0 1.0 C3 F:3N21 2.7 89.5 1.0 C20 F:3N21 2.7 94.3 1.0 O F:LYS347 3.4 64.6 1.0 CG F:LYS347 3.9 68.3 1.0 CD F:LYS347 3.9 78.2 1.0 ND2 F:ASN59 4.0 51.0 1.0 C5 F:3N21 4.0 83.9 1.0 C18 F:3N21 4.0 85.2 1.0 CG F:ASN59 4.1 56.2 1.0 CE F:LYS347 4.1 77.9 1.0 C F:LYS347 4.1 65.5 1.0 OD1 F:ASN59 4.1 53.5 1.0 CB F:LYS347 4.2 66.5 1.0 C6 F:3N21 4.5 83.7 1.0 CA F:LYS347 4.8 63.7 1.0 CB F:ASN59 4.8 50.7 1.0 N F:ILE348 4.9 64.7 1.0

W.Jahnke, J.M.Rondeau, S.Cotesta, A.Marzinzik, X.Pelle, M.Geiser, A.Strauss, M.Gotte, F.Bitsch, R.Hemmig, C.Henry, S.Lehmann, J.F.Glickman, T.P.Roddy, S.J.Stout, J.R.Green. Allosteric Non-Bisphosphonate Fpps Inhibitors Identified By Fragment-Based Discovery. Nat.Chem.Biol. V. 6 660 2010.
ISSN: ISSN 1552-4450
PubMed: 20711197
DOI: 10.1038/NCHEMBIO.421