Chlorine in PDB 4yd0: Influenza Polymerase Basic Protein 2 (PB2) Bound to An Azaindole- Tetrazole Inhibitor

The structure of Influenza Polymerase Basic Protein 2 (PB2) Bound to An Azaindole- Tetrazole Inhibitor, PDB code: 4yd0 was solved by M.D.Jacobs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.29 / 2.62
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	80.789, 80.789, 54.256, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 21.6

The structure of Influenza Polymerase Basic Protein 2 (PB2) Bound to An Azaindole- Tetrazole Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Influenza Polymerase Basic Protein 2 (PB2) Bound to An Azaindole- Tetrazole Inhibitor (pdb code 4yd0). 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 Influenza Polymerase Basic Protein 2 (PB2) Bound to An Azaindole- Tetrazole Inhibitor, PDB code: 4yd0:

Chlorine binding site 1 out of 1 in the Influenza Polymerase Basic Protein 2 (PB2) Bound to An Azaindole- Tetrazole Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Influenza Polymerase Basic Protein 2 (PB2) Bound to An Azaindole- Tetrazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:87.6 occ:1.00 CL3 A:4EW201 0.0 87.6 1.0 C2 A:4EW201 1.7 85.2 1.0 C1 A:4EW201 2.7 83.6 1.0 C3 A:4EW201 2.7 83.4 1.0 CE A:MET131 3.4 55.5 1.0 O A:PHE104 3.5 49.6 1.0 CD1 A:PHE104 3.7 46.1 1.0 NE2 A:GLN106 3.7 41.6 1.0 C24 A:4EW201 3.8 93.9 1.0 CD A:GLN106 3.9 64.1 1.0 N4 A:4EW201 3.9 82.4 1.0 CE1 A:PHE104 4.0 48.0 1.0 C6 A:4EW201 4.0 82.1 1.0 CG A:GLN106 4.1 45.1 1.0 CG A:PHE104 4.3 43.8 1.0 CA A:PHE104 4.3 41.2 1.0 C A:PHE104 4.3 47.5 1.0 CD2 A:HIS57 4.3 60.5 1.0 OE1 A:GLN106 4.4 61.7 1.0 SD A:MET131 4.5 61.3 1.0 C5 A:4EW201 4.5 81.5 1.0 CG A:MET131 4.6 61.3 1.0 C25 A:4EW201 4.6 95.3 1.0 NE2 A:HIS57 4.7 61.3 1.0 CZ A:PHE104 4.7 47.6 1.0 CB A:PHE104 4.8 42.1 1.0 C23 A:4EW201 4.9 94.4 1.0

M.J.Boyd, U.K.Bandarage, H.Bennett, R.R.Byrn, I.Davies, W.Gu, M.Jacobs, M.W.Ledeboer, B.Ledford, J.R.Leeman, E.Perola, T.Wang, Y.Bennani, M.P.Clark, P.S.Charifson. Isosteric Replacements of the Carboxylic Acid of Drug Candidate Vx-787: Effect of Charge on Antiviral Potency and Kinase Activity of Azaindole-Based Influenza PB2 Inhibitors. Bioorg.Med.Chem.Lett. V. 25 1990 2015.
ISSN: ESSN 1464-3405
PubMed: 25827523
DOI: 10.1016/J.BMCL.2015.03.013