Chlorine in PDB 5vj2: Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1)

The structure of Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1), PDB code: 5vj2 was solved by D.W.Leung, D.M.Borek, G.K.Amarasinghe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.27 / 2.22
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	44.977, 100.682, 122.500, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.7

The binding sites of Chlorine atom in the Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1) (pdb code 5vj2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1), PDB code: 5vj2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:71.2 occ:1.00 OG A:SER63 2.9 66.9 1.0 NZ A:LYS43 3.0 82.2 1.0 N A:ASP64 3.9 59.1 1.0 CB A:SER63 4.0 54.9 1.0 CE A:LYS43 4.0 69.4 1.0 CA A:SER63 4.2 53.6 1.0 CD A:LYS43 4.2 63.2 1.0 OD2 A:ASP64 4.5 77.3 1.0 CB A:ASN39 4.5 42.4 1.0 CG A:ASP64 4.6 73.0 1.0 C A:SER63 4.6 53.8 1.0 CB A:ASP64 4.6 63.9 1.0 CG A:ASN39 4.8 48.1 1.0 ND2 A:ASN39 4.8 46.3 1.0 CA A:ASP64 4.9 58.6 1.0

Chlorine binding site 2 out of 4 in the Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:77.2 occ:1.00 N A:TYR125 3.9 30.6 1.0 CE1 B:HIS58 3.9 34.3 1.0 CA A:TYR125 3.9 31.1 1.0 O A:THR121 3.9 35.6 1.0 CB A:TYR125 4.0 29.3 1.0 O1 A:DIO203 4.0 48.4 1.0 ND1 B:HIS58 4.3 33.6 1.0 NE2 A:GLN128 4.3 89.7 1.0 C A:ASN124 4.4 36.9 1.0 CB A:ASN124 4.5 47.9 1.0 C1 A:DIO203 4.5 50.5 1.0 CD1 A:TYR125 4.5 32.9 1.0 CG2 A:THR121 4.6 41.8 1.0 C2 A:DIO203 4.8 44.7 1.0 CG A:TYR125 4.8 29.1 1.0 O A:ASN124 4.8 36.5 1.0 O B:HOH314 4.9 35.5 1.0 O B:HOH315 4.9 42.3 1.0 O B:HOH304 5.0 36.2 1.0 C A:THR121 5.0 36.7 1.0

Chlorine binding site 3 out of 4 in the Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:79.1 occ:1.00 O B:THR78 3.7 33.7 1.0 C B:THR79 4.1 36.6 1.0 N B:MET80 4.1 36.5 1.0 N B:LEU24 4.1 31.1 1.0 C B:THR78 4.1 38.2 1.0 CB B:MET80 4.1 51.5 1.0 CB B:LEU24 4.2 37.7 1.0 CA B:THR79 4.2 35.9 1.0 CA B:ALA23 4.3 29.8 1.0 C B:ALA23 4.3 28.7 1.0 N B:THR79 4.4 36.2 1.0 CG2 B:THR78 4.4 52.9 1.0 O B:VAL22 4.5 33.4 1.0 O B:THR79 4.5 38.9 1.0 CB B:THR78 4.6 44.5 1.0 N B:ALA23 4.7 32.2 1.0 CG2 B:VAL22 4.8 41.4 1.0 CA B:MET80 4.8 39.0 1.0 C B:VAL22 4.8 33.8 1.0 CA B:LEU24 4.8 32.1 1.0

Chlorine binding site 4 out of 4 in the Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human Respiratory Syncytial Virus Non-Structural Protein 1 (NS1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:54.5 occ:0.50 O B:LEU51 3.1 30.9 1.0 CD1 B:ILE54 3.4 44.8 1.0 ND2 B:ASN52 3.6 36.0 1.0 CG B:LEU51 3.8 37.5 1.0 CD2 B:LEU51 3.9 38.6 1.0 CB B:ASN52 4.0 32.7 1.0 C B:LEU51 4.0 30.8 1.0 CG1 B:ILE54 4.0 38.2 1.0 CG B:ASN52 4.3 31.9 1.0 CB B:LEU51 4.3 33.8 1.0 CB B:ILE54 4.6 36.2 1.0 N B:ASN52 4.7 31.3 1.0 N B:GLY53 4.8 35.5 1.0 CA B:ASN52 4.8 31.2 1.0 N B:ILE54 4.8 34.4 1.0 CA B:LEU51 4.8 30.0 1.0

S.Chatterjee, P.Luthra, E.Esaulova, E.Agapov, B.C.Yen, D.M.Borek, M.R.Edwards, A.Mittal, D.S.Jordan, P.Ramanan, M.L.Moore, R.V.Pappu, M.J.Holtzman, M.N.Artyomov, C.F.Basler, G.K.Amarasinghe, D.W.Leung. Structural Basis For Human Respiratory Syncytial Virus NS1-Mediated Modulation of Host Responses. Nat Microbiol V. 2 17101 2017.
ISSN: ESSN 2058-5276
PubMed: 28665409
DOI: 10.1038/NMICROBIOL.2017.101