Chlorine in PDB 6h3s: Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains

The structure of Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains, PDB code: 6h3s was solved by J.Hellert, A.Aebischer, K.Wernike, A.Haouz, E.Brocchi, S.Reiche, P.Guardado-Calvo, M.Beer, F.A.Rey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.61 / 2.02
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.226, 95.226, 204.739, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24

The binding sites of Chlorine atom in the Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains (pdb code 6h3s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains, PDB code: 6h3s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl908 b:72.5 occ:1.00 OH B:TYR802 3.1 54.9 1.0 N B:SER866 3.6 54.1 1.0 NE B:ARG865 3.7 56.1 1.0 CA B:ARG865 3.7 47.4 1.0 CB B:ARG865 3.8 45.8 1.0 OG B:SER866 4.0 63.0 1.0 CZ B:TYR802 4.2 53.9 1.0 C B:ARG865 4.2 50.9 1.0 O B:HOH1112 4.2 53.3 1.0 NH2 B:ARG865 4.3 59.7 1.0 CZ B:ARG865 4.4 57.1 1.0 CD B:ARG865 4.5 51.9 1.0 CB B:SER866 4.5 59.0 1.0 CA B:SER866 4.6 54.5 1.0 CG B:ARG865 4.7 47.0 1.0 CE2 B:TYR802 4.8 52.3 1.0 CE1 B:TYR802 4.9 53.0 1.0 N B:ARG865 5.0 44.6 1.0

Chlorine binding site 2 out of 5 in the Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl909 b:64.3 occ:1.00 O B:HOH1017 3.1 45.8 1.0 CE1 B:HIS773 3.6 51.7 1.0 O B:HOH1034 3.7 51.9 1.0 CD B:ARG861 3.8 62.6 1.0 N B:TYR862 3.8 58.5 1.0 CB B:ARG861 4.1 55.8 1.0 CA B:ARG861 4.1 55.1 1.0 O B:TYR862 4.2 48.8 1.0 ND1 B:HIS773 4.5 50.9 1.0 C B:ARG861 4.5 55.6 1.0 NE2 B:HIS773 4.5 53.0 1.0 CG B:ARG861 4.5 60.2 1.0 CB B:TYR836 4.7 57.3 1.0 CA B:TYR862 4.8 54.7 1.0 NE B:ARG861 4.9 61.1 1.0 CD2 B:TYR836 4.9 73.8 1.0 C B:TYR862 5.0 51.0 1.0 CD1 B:TYR862 5.0 51.1 1.0

Chlorine binding site 3 out of 5 in the Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl910 b:79.8 occ:1.00 O B:HOH1146 3.4 58.7 1.0 OG B:SER496 3.4 43.0 1.0 N B:THR495 3.7 38.0 1.0 OG1 B:THR495 3.8 41.1 1.0 N B:SER496 3.9 46.1 1.0 CB B:SER496 4.3 42.5 1.0 CA B:LYS494 4.4 38.1 1.0 CA B:THR495 4.5 39.3 1.0 C B:THR495 4.5 44.3 1.0 C B:LYS494 4.5 38.8 1.0 O B:SER496 4.6 48.8 1.0 CA B:SER496 4.6 44.5 1.0 O B:ASN493 4.6 48.4 1.0 CB B:THR495 4.7 39.0 1.0 CG B:LYS494 4.8 35.0 1.0 C B:SER496 4.8 48.3 1.0

Chlorine binding site 4 out of 5 in the Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl911 b:97.6 occ:1.00 CD B:ARG640 3.4 57.2 1.0 NH2 B:ARG632 3.4 75.3 1.0 NH1 B:ARG640 3.4 66.3 1.0 CB B:SER531 4.2 50.9 1.0 NE B:ARG640 4.3 62.6 1.0 CZ B:ARG640 4.3 62.7 1.0 CG B:ARG640 4.5 47.5 1.0 CZ B:ARG632 4.5 72.5 1.0 OG B:SER531 4.6 50.4 1.0 O B:HOH1123 4.7 58.6 1.0 O B:HOH1036 5.0 63.0 1.0

Chlorine binding site 5 out of 5 in the Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl909 b:0.8 occ:1.00 N A:ASN810 3.3 56.6 1.0 OG A:SER830 3.5 74.0 1.0 CB A:SER830 3.7 70.0 1.0 CB A:CYS809 3.8 56.3 1.0 ND2 A:ASN810 3.9 60.1 1.0 CB A:ASN810 3.9 56.1 1.0 N A:SER830 4.0 63.6 1.0 CA A:CYS809 4.0 55.2 1.0 CA A:ASN810 4.1 57.0 1.0 O A:ASN810 4.2 63.9 1.0 C A:CYS809 4.2 56.5 1.0 CG A:ASN810 4.4 57.2 1.0 CA A:SER830 4.5 68.4 1.0 CB A:CYS829 4.5 61.6 1.0 C A:ASN810 4.6 60.5 1.0 SG A:CYS809 4.9 57.1 1.0

J.Hellert, A.Aebischer, K.Wernike, A.Haouz, E.Brocchi, S.Reiche, P.Guardado-Calvo, M.Beer, F.A.Rey. Orthobunyavirus Spike Architecture and Recognition By Neutralizing Antibodies. Nat Commun V. 10 879 2019.
ISSN: ESSN 2041-1723
PubMed: 30787296
DOI: 10.1038/S41467-019-08832-8