Chlorine in PDB 2b8h: A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase

All present enzymatic activity of A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase:
3.2.1.18;

The structure of A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase, PDB code: 2b8h was solved by B.J.Smith, D.Platis, M.M.J.Cox, T.Huyton, R.P.Joosten, J.L.Mckimm-Breschkin, J.-G.Zhang, C.S.Luo, M.-Z.Lou, T.P.J.Garrett, N.E.Labrou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.516, 107.516, 338.487, 90.00, 90.00, 120.00
R / Rfree (%)	13.9 / 18.9

The binding sites of Chlorine atom in the A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase (pdb code 2b8h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase, PDB code: 2b8h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1522 b:46.1 occ:1.00 O A:HOH5182 2.8 31.4 1.0 N A:ILE465 3.2 20.4 1.0 NH2 A:ARG429 3.5 20.1 1.0 O A:HOH5163 3.5 22.7 1.0 CA A:LYS464 3.7 18.9 1.0 O A:ALA463 3.8 17.4 1.0 C A:LYS464 3.9 18.6 1.0 CB A:ILE465 4.0 23.0 1.0 CA A:ILE465 4.2 22.1 1.0 CG1 A:ILE465 4.2 25.1 1.0 OE2 A:GLU434 4.4 22.8 1.0 CB A:LYS464 4.5 19.7 1.0 O A:HOH5243 4.6 36.2 1.0 N A:LYS464 4.6 17.2 1.0 C A:ALA463 4.6 17.4 1.0 CZ A:ARG429 4.7 18.4 1.0 N A:GLU466 4.9 23.7 1.0

Chlorine binding site 2 out of 4 in the A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2522 b:45.2 occ:1.00 O B:HOH3822 2.5 31.8 1.0 O B:HOH3620 3.2 30.8 1.0 N B:ILE465 3.4 22.1 1.0 NH2 B:ARG429 3.7 15.7 1.0 CA B:LYS464 3.9 22.0 1.0 CB B:ILE465 4.0 23.0 1.0 O B:ALA463 4.1 18.0 1.0 C B:LYS464 4.2 20.9 1.0 CA B:ILE465 4.3 21.4 1.0 CG1 B:ILE465 4.4 25.1 1.0 OE2 B:GLU434 4.5 26.7 1.0 CB B:LYS464 4.7 21.8 1.0 O B:HOH3826 4.8 34.5 1.0 N B:GLU466 4.9 21.1 1.0 CZ B:ARG429 4.9 18.0 1.0 N B:LYS464 4.9 19.7 1.0 C B:ALA463 5.0 18.6 1.0

Chlorine binding site 3 out of 4 in the A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl3522 b:50.0 occ:1.00 O C:HOH4697 2.7 25.3 1.0 N C:ILE465 3.3 23.1 1.0 O C:HOH4636 3.4 26.8 1.0 NH2 C:ARG429 3.7 14.8 1.0 CA C:LYS464 3.8 22.5 1.0 O C:ALA463 3.9 21.4 1.0 C C:LYS464 4.1 21.7 1.0 CB C:ILE465 4.1 25.3 1.0 CA C:ILE465 4.3 23.6 1.0 CG1 C:ILE465 4.4 24.4 1.0 OE2 C:GLU434 4.4 18.1 1.0 CB C:LYS464 4.6 22.4 1.0 C C:ALA463 4.8 19.6 1.0 N C:LYS464 4.8 20.9 1.0 O C:HOH4683 4.8 38.8 1.0 CZ C:ARG429 4.9 18.0 1.0 N C:GLU466 4.9 23.1 1.0

Chlorine binding site 4 out of 4 in the A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of A/Nws/Whale/Maine/1/84 (H1N9) Reassortant Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl4522 b:46.9 occ:1.00 O D:HOH4729 2.8 28.6 1.0 O D:HOH4738 3.3 19.8 1.0 N D:ILE465 3.5 19.3 1.0 NH2 D:ARG429 3.7 15.7 1.0 CA D:LYS464 3.8 20.0 1.0 O D:ALA463 4.1 15.9 1.0 C D:LYS464 4.1 18.3 1.0 CB D:ILE465 4.2 20.7 1.0 O D:HOH4780 4.4 34.9 1.0 CA D:ILE465 4.4 19.9 1.0 CG1 D:ILE465 4.5 21.1 1.0 CB D:LYS464 4.5 19.4 1.0 OE2 D:GLU434 4.6 19.9 1.0 O D:HOH4881 4.8 34.8 1.0 N D:LYS464 4.8 17.6 1.0 C D:ALA463 4.9 17.4 1.0 CG D:LYS464 4.9 25.4 1.0 O D:HOH4884 4.9 30.8 1.0 CZ D:ARG429 5.0 16.4 1.0

B.J.Smith, T.Huyton, R.P.Joosten, J.L.Mckimm-Breschkin, J.G.Zhang, C.S.Luo, M.Z.Lou, N.E.Labrou, T.P.Garrett. Structure of A Calcium-Deficient Form of Influenza Virus Neuraminidase: Implications For Substrate Binding. Acta Crystallogr.,Sect.D V. 62 947 2006.
ISSN: ISSN 0907-4449
PubMed: 16929094
DOI: 10.1107/S0907444906020063