Chlorine in PDB 4ucc: N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76

The structure of N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76, PDB code: 4ucc was solved by M.Ouizougun-Oubari, N.Pereira, B.Tarus, M.Galloux, M.-A.Tortorici, S.Hoos, B.Baron, P.England, F.Bontems, F.A.Rey, J.-F.Eleouet, C.Sizun, A.Slama-Schwok, S.Duquerroy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.820, 71.960, 178.170, 90.00, 90.00, 90.00
R / Rfree (%)	19.14 / 23.58

The binding sites of Chlorine atom in the N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76 (pdb code 4ucc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76, PDB code: 4ucc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:48.7 occ:1.00 CL1 A:ZKW301 0.0 48.7 1.0 C3 A:ZKW301 1.7 50.3 1.0 C4 A:ZKW301 2.7 51.8 1.0 C2 A:ZKW301 2.7 53.0 1.0 H4 A:ZKW301 2.8 50.4 1.0 H62C A:ZKW301 2.8 58.2 1.0 H61C A:ZKW301 3.0 57.1 1.0 C6 A:ZKW301 3.1 57.3 1.0 OG A:SER131 3.2 39.2 0.5 OG A:SER131 3.4 33.5 0.5 C A:SER131 3.9 37.3 1.0 N A:ARG132 3.9 33.8 1.0 CD1 A:ILE53 3.9 35.4 1.0 O A:SER131 3.9 37.0 1.0 ND1 A:HIS151 3.9 44.9 1.0 CG A:ARG132 3.9 39.6 1.0 C5 A:ZKW301 4.0 56.5 1.0 C1 A:ZKW301 4.0 54.4 1.0 CA A:ARG132 4.0 35.1 1.0 CB A:SER131 4.1 32.2 0.5 CB A:SER131 4.1 33.7 0.5 CG A:HIS151 4.1 41.0 1.0 CB A:TYR135 4.1 36.6 1.0 CE1 A:HIS151 4.2 46.1 1.0 C A:ZKW301 4.5 54.6 1.0 CD2 A:HIS151 4.5 43.8 1.0 N A:ZKW301 4.5 60.1 1.0 CG A:TYR135 4.5 40.6 1.0 O A:HOH2071 4.5 56.0 1.0 CB A:HIS151 4.5 35.4 1.0 NE2 A:HIS151 4.6 46.0 1.0 CB A:ARG132 4.6 34.4 1.0 CA A:SER131 4.6 32.9 0.5 CA A:SER131 4.6 33.2 0.5 CG A:MET50 4.7 34.5 1.0 O2 A:ZKW301 4.7 61.6 1.0 CD1 A:TYR135 4.7 42.9 1.0 HA A:ZKW301 4.9 56.0 1.0 CG1 A:ILE53 4.9 31.0 1.0 O A:GLU128 5.0 35.1 1.0

Chlorine binding site 2 out of 4 in the N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:60.5 occ:1.00 CL A:ZKW301 0.0 60.5 1.0 C5 A:ZKW301 1.7 56.5 1.0 C A:ZKW301 2.7 54.6 1.0 C4 A:ZKW301 2.7 51.8 1.0 H A:ZKW301 2.8 55.6 1.0 H4 A:ZKW301 2.9 50.4 1.0 OE1 A:GLU128 3.2 56.0 1.0 CD A:GLU128 3.3 61.6 1.0 OE2 A:GLU128 3.6 63.3 1.0 O A:HOH2041 3.7 50.0 1.0 CG A:GLU128 3.8 40.5 1.0 SD A:MET50 3.9 41.0 1.0 NH2 A:ARG132 4.0 59.1 1.0 C3 A:ZKW301 4.0 50.3 1.0 C1 A:ZKW301 4.0 54.4 1.0 NE2 A:HIS151 4.5 46.0 1.0 C2 A:ZKW301 4.5 53.0 1.0 CE A:MET50 4.5 37.5 1.0 CZ A:ARG132 4.6 66.0 1.0 NE A:ARG132 4.6 49.4 1.0 CB A:GLU128 4.8 34.6 1.0 O A:HOH2057 4.8 63.8 1.0 HA A:ZKW301 4.8 56.0 1.0 CD2 A:HIS151 4.8 43.8 1.0 CD A:LYS46 5.0 81.1 1.0

Chlorine binding site 3 out of 4 in the N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:74.9 occ:1.00 CL1 B:ZKW301 0.0 74.9 1.0 C3 B:ZKW301 1.7 77.4 1.0 C4 B:ZKW301 2.7 74.6 1.0 C2 B:ZKW301 2.7 80.4 1.0 H4 B:ZKW301 2.8 72.9 1.0 H62C B:ZKW301 2.9 87.2 1.0 H61C B:ZKW301 2.9 84.0 1.0 C6 B:ZKW301 3.0 86.0 1.0 OG B:SER131 3.5 78.0 1.0 ND1 B:HIS151 3.7 66.3 1.0 CG B:HIS151 3.8 61.7 1.0 CD1 B:ILE53 3.9 60.7 1.0 C B:SER131 3.9 72.2 1.0 CE1 B:HIS151 3.9 67.4 1.0 O B:SER131 3.9 70.9 1.0 N B:ARG132 3.9 71.6 1.0 C5 B:ZKW301 3.9 77.7 1.0 CB B:TYR135 4.0 71.1 1.0 C1 B:ZKW301 4.0 79.6 1.0 CG B:ARG132 4.0 82.7 1.0 CA B:ARG132 4.0 74.5 1.0 CD2 B:HIS151 4.1 64.2 1.0 NE2 B:HIS151 4.1 66.8 1.0 CB B:SER131 4.2 66.3 1.0 CG B:TYR135 4.4 75.1 1.0 CB B:HIS151 4.4 55.7 1.0 C B:ZKW301 4.5 77.2 1.0 N B:ZKW301 4.5 91.4 1.0 CD1 B:TYR135 4.5 74.0 1.0 CG B:MET50 4.6 57.6 1.0 CB B:ARG132 4.6 76.7 1.0 CA B:SER131 4.7 66.7 1.0 O2 B:ZKW301 4.8 0.1 1.0 HA B:ZKW301 4.9 81.6 1.0

Chlorine binding site 4 out of 4 in the N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of N-Terminal Globular Domain of the Rsv Nucleoprotein in Complex with the Nucleoprotein Phosphoprotein Interaction Inhibitor M76 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:80.5 occ:1.00 CL B:ZKW301 0.0 80.5 1.0 C5 B:ZKW301 1.7 77.7 1.0 C4 B:ZKW301 2.7 74.6 1.0 C B:ZKW301 2.7 77.2 1.0 H4 B:ZKW301 2.8 72.9 1.0 H B:ZKW301 2.8 77.4 1.0 CD B:GLU128 3.3 89.1 1.0 OE1 B:GLU128 3.5 69.4 1.0 O B:HOH2018 3.6 84.7 1.0 CE B:LYS46 3.6 91.4 1.0 OE2 B:GLU128 3.6 0.4 1.0 CG B:GLU128 3.8 74.9 1.0 NZ B:LYS46 3.8 92.4 1.0 O B:HOH2036 3.9 53.9 1.0 C3 B:ZKW301 4.0 77.4 1.0 C1 B:ZKW301 4.0 79.6 1.0 SD B:MET50 4.0 64.9 1.0 NH2 B:ARG132 4.0 73.2 1.0 C2 B:ZKW301 4.5 80.4 1.0 CE B:MET50 4.6 58.7 1.0 CZ B:ARG132 4.6 89.9 1.0 NE B:ARG132 4.6 81.4 1.0 CB B:GLU128 4.8 66.2 1.0 HA B:ZKW301 4.8 81.6 1.0 NE2 B:HIS151 4.9 66.8 1.0 CD B:LYS46 5.0 83.2 1.0

M.Ouizougun-Oubari, N.Pereira, B.Tarus, M.Galloux, S.Lassoued, J.Fix, M.A.Tortorici, S.Hoos, B.Baron, P.England, D.Desmaele, P.Couvreur, F.Bontems, F.A.Rey, J.F.Eleouet, C.Sizun, A.Slama-Schwok, S.Duquerroy. A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol. V. 89 11129 2015.
ISSN: ISSN 0022-538X
PubMed: 26246564
DOI: 10.1128/JVI.01612-15