Chlorine in PDB 4xc5: Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1

The structure of Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1, PDB code: 4xc5 was solved by K.Reiss, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.32 / 2.20
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	112.930, 112.960, 113.220, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.3

The structure of Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1 also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1 (pdb code 4xc5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1, PDB code: 4xc5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:50.1 occ:1.00 N A:GLY398 3.2 32.1 1.0 CA A:GLY398 3.8 31.5 1.0 N A:THR397 3.8 33.7 1.0 CB A:GLN396 3.8 37.4 1.0 NE2 A:GLN396 3.9 75.5 1.0 C A:THR397 4.2 37.5 1.0 CB A:THR397 4.2 36.9 1.0 CA A:THR397 4.2 33.5 1.0 CD A:GLN396 4.3 81.4 1.0 C A:GLN396 4.4 37.2 1.0 CG A:GLN396 4.5 57.3 1.0 CA A:GLN396 4.6 35.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:49.8 occ:1.00 N B:GLY398 3.0 30.6 1.0 CA B:GLY398 3.6 30.5 1.0 N B:THR397 3.7 34.6 1.0 CB B:GLN396 3.8 34.8 1.0 NE2 B:GLN396 3.9 74.0 1.0 C B:THR397 4.0 35.4 1.0 CA B:THR397 4.1 33.9 1.0 CB B:THR397 4.1 39.7 1.0 C B:GLN396 4.3 36.5 1.0 CD B:GLN396 4.3 79.7 1.0 CG B:GLN396 4.5 54.4 1.0 CA B:GLN396 4.6 32.9 1.0 C B:GLY398 4.9 36.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:49.2 occ:1.00 N C:GLY398 3.1 32.5 1.0 CA C:GLY398 3.7 32.3 1.0 N C:THR397 3.8 31.8 1.0 NE2 C:GLN396 3.9 77.1 1.0 CB C:GLN396 3.9 37.5 1.0 O3 C:GOL504 3.9 44.9 1.0 C C:THR397 4.1 35.9 1.0 CB C:THR397 4.2 35.0 1.0 CA C:THR397 4.2 31.7 1.0 C C:GLN396 4.4 35.1 1.0 CD C:GLN396 4.4 81.7 1.0 CG C:GLN396 4.5 60.5 1.0 O C:HOH633 4.6 63.2 1.0 CA C:GLN396 4.7 35.4 1.0 C C:GLY398 5.0 38.4 1.0

E.Stettner, K.Reiss, M.H.Dietrich, K.M.Ogden, T.S.Dermody, T.Stehle. Structure of Serotype 1 Reovirus Attachment Protein SIGMA1 in Complex with Jam-A Reveals A Conserved Serotype-Independent Binding Epitope To Be Published.