Chlorine in PDB 5d8u: 2009 H1N1 Pa Endonuclease Mutant E119D in Complex with L-742,001

The structure of 2009 H1N1 Pa Endonuclease Mutant E119D in Complex with L-742,001, PDB code: 5d8u was solved by G.Kumar, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 2.29
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.881, 89.881, 134.148, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.1

The structure of 2009 H1N1 Pa Endonuclease Mutant E119D in Complex with L-742,001 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the 2009 H1N1 Pa Endonuclease Mutant E119D in Complex with L-742,001 (pdb code 5d8u). 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 2009 H1N1 Pa Endonuclease Mutant E119D in Complex with L-742,001, PDB code: 5d8u:

Chlorine binding site 1 out of 1 in the 2009 H1N1 Pa Endonuclease Mutant E119D in Complex with L-742,001


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2009 H1N1 Pa Endonuclease Mutant E119D in Complex with L-742,001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:0.7 occ:1.00 CL2 A:0N8203 0.0 0.7 1.0 C19 A:0N8203 1.8 0.1 1.0 C18 A:0N8203 2.8 93.3 1.0 C20 A:0N8203 2.8 0.6 1.0 CG A:LYS134 3.7 92.4 1.0 N A:ILE138 3.9 0.1 1.0 CA A:ILE138 3.9 0.8 1.0 CB A:ILE138 4.0 0.1 1.0 CB A:LYS137 4.1 91.2 1.0 O A:LYS134 4.1 88.7 1.0 C A:LYS137 4.1 0.9 1.0 C17 A:0N8203 4.1 99.4 1.0 C21 A:0N8203 4.1 98.9 1.0 O A:LYS137 4.3 0.4 1.0 NZ A:LYS134 4.4 88.0 1.0 CA A:LYS134 4.4 88.8 1.0 CE A:LYS134 4.6 88.5 1.0 CD A:LYS134 4.6 91.8 1.0 CB A:LYS134 4.6 88.0 1.0 C16 A:0N8203 4.7 97.8 1.0 C A:LYS134 4.7 89.5 1.0 CA A:LYS137 4.7 99.8 1.0 OD2 A:ASP119 4.8 83.7 1.0 CD2 A:PHE105 4.8 90.3 1.0 CG A:PHE105 4.9 86.0 1.0 CB A:PHE105 5.0 80.4 1.0

M.S.Song, G.Kumar, W.R.Shadrick, W.Zhou, T.Jeevan, Z.Li, P.J.Slavish, T.P.Fabrizio, S.W.Yoon, T.R.Webb, R.J.Webby, S.W.White. Identification and Characterization of Influenza Variants Resistant to A Viral Endonuclease Inhibitor. Proc.Natl.Acad.Sci.Usa V. 113 3669 2016.
ISSN: ESSN 1091-6490
PubMed: 26976575
DOI: 10.1073/PNAS.1519772113