Magnesium 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:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the T1L Reovirus Attachment Protein SIGMA1, PDB code: 4xc5:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg502 b:47.1 occ:0.50 OD1 A:ASN375 2.1 44.3 1.0 O A:THR454 2.5 33.1 1.0 CG A:ASN375 3.3 56.8 1.0 OG A:SER376 3.4 45.3 1.0 C A:THR454 3.6 35.3 1.0 N A:SER376 3.8 34.5 1.0 ND2 A:ASN375 3.9 51.0 1.0 CB A:SER376 4.0 36.5 1.0 CA A:THR454 4.1 29.3 1.0 CB A:ASN375 4.5 34.3 1.0 CA A:ASN375 4.5 30.5 1.0 CA A:SER376 4.6 33.6 1.0 C A:ASN375 4.7 35.8 1.0 CB A:THR454 4.7 38.0 1.0 N A:GLN455 4.7 33.8 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg502 b:53.3 occ:0.50 OD1 B:ASN375 2.1 36.8 1.0 O B:THR454 2.5 36.4 1.0 CG B:ASN375 3.3 51.3 1.0 OG B:SER376 3.3 42.8 1.0 C B:THR454 3.6 36.5 1.0 N B:SER376 3.8 30.7 1.0 ND2 B:ASN375 3.9 46.4 1.0 CB B:SER376 4.1 36.2 1.0 CA B:THR454 4.1 30.9 1.0 CB B:ASN375 4.5 30.8 1.0 CA B:ASN375 4.5 30.8 1.0 CA B:SER376 4.6 31.3 1.0 N B:GLN455 4.7 31.9 1.0 C B:ASN375 4.7 33.3 1.0 CB B:THR454 4.7 41.2 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg502 b:52.5 occ:0.50 O C:THR454 2.3 38.2 1.0 OD1 C:ASN375 2.3 41.2 1.0 C C:THR454 3.4 38.2 1.0 OG C:SER376 3.4 40.0 1.0 CG C:ASN375 3.5 53.1 1.0 N C:SER376 3.9 31.2 1.0 CA C:THR454 3.9 33.0 1.0 ND2 C:ASN375 4.1 42.9 1.0 CB C:SER376 4.1 33.7 1.0 CB C:THR454 4.4 38.4 1.0 N C:GLN455 4.6 33.9 1.0 CA C:ASN375 4.6 30.0 1.0 CB C:ASN375 4.6 33.4 1.0 CA C:SER376 4.7 30.6 1.0 C C:ASN375 4.8 34.2 1.0 CA C:GLN455 5.0 33.4 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.