Chlorine in PDB 4cb4: Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP

The structure of Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP, PDB code: 4cb4 was solved by S.Pautus, P.Sehr, J.Lewis, A.Fortune, A.Wolkerstorfer, O.Szolar, D.Gulligay, T.Lunardi, J.L.Decout, S.Cusack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.35 / 1.60
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	82.480, 82.480, 55.240, 90.00, 90.00, 120.00
R / Rfree (%)	12.585 / 16.99

The binding sites of Chlorine atom in the Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP (pdb code 4cb4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP, PDB code: 4cb4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1485 b:15.2 occ:1.00 O A:HOH2096 3.2 12.9 1.0 O A:HOH2099 3.2 50.3 1.0 NE2 A:GLN392 3.3 13.0 1.0 CG A:GLU396 3.7 12.5 1.0 CD A:GLU396 4.1 16.4 1.0 OE1 A:GLN392 4.1 14.3 1.0 CD A:GLN392 4.1 13.0 1.0 CB A:GLU396 4.2 11.2 1.0 O A:HOH2128 4.2 53.6 1.0 OE2 A:GLU396 4.5 21.3 1.0 OE1 A:GLU396 4.5 19.1 1.0 O A:HOH2009 4.6 26.5 1.0 O A:HOH2129 4.7 45.4 1.0

Chlorine binding site 2 out of 3 in the Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1486 b:15.8 occ:1.00 NH2 A:ARG380 3.0 12.5 0.5 NH1 A:ARG380 3.3 12.9 0.5 NH2 A:ARG380 3.3 16.8 0.5 CZ A:ARG380 3.6 12.1 0.5 NH1 A:ARG380 3.7 16.9 0.5 CD1 A:ILE382 3.9 15.3 1.0 CZ A:ARG380 3.9 15.8 0.5 CG1 A:ILE382 4.4 13.2 1.0 CG2 A:ILE382 4.8 11.9 1.0 O A:HOH2160 4.9 31.7 1.0 NE A:ARG380 4.9 10.8 0.5

Chlorine binding site 3 out of 3 in the Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Influenza A H5N1 PB2 Cap-Binding Domain with Bound M7GTP within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1487 b:23.2 occ:1.00 O A:HOH2065 2.1 36.2 1.0 O A:HOH2062 2.6 36.7 1.0 NH1 A:ARG369 3.4 14.9 1.0 CG A:ARG369 3.5 11.2 1.0 CB A:ARG368 3.7 15.8 1.0 CD A:ARG369 3.7 13.3 1.0 NE A:ARG368 3.9 32.8 1.0 O A:HOH2060 4.0 40.5 1.0 NH2 A:ARG368 4.3 31.8 1.0 CZ A:ARG369 4.4 13.1 1.0 CG A:ARG368 4.5 22.4 1.0 NE A:ARG369 4.5 12.5 1.0 CZ A:ARG368 4.6 29.9 1.0 C A:ARG368 4.7 11.8 1.0 CD A:ARG368 4.8 28.8 1.0 O A:ARG368 4.8 13.4 1.0 CA A:ARG368 4.9 13.2 1.0 CB A:ARG369 5.0 9.4 1.0

S.Pautus, P.Sehr, J.Lewis, A.Fortune, A.Wolkerstorfer, O.Szolar, D.Gulligay, T.Lunardi, J.L.Decout, S.Cusack. New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase PB2 Cap-Binding Domain J.Med.Chem. V. 56 8915 2013.
ISSN: ISSN 0022-2623
PubMed: 24134208
DOI: 10.1021/JM401369Y