Magnesium in PDB 8xne: Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group)

The structure of Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group), PDB code: 8xne was solved by S.Oishi, A.Takahara, T.Nakatsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.60 / 1.16
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	28.506, 28.506, 387.637, 90, 90, 120
R / Rfree (%)	16 / 18.7

The binding sites of Magnesium atom in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group) (pdb code 8xne). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group), PDB code: 8xne:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group)


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 Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:4.3 occ:0.33 OD1 B:ASP472 2.1 5.6 1.0 O B:HOH621 2.1 5.3 1.0 CG B:ASP472 3.1 5.4 1.0 OD2 B:ASP472 3.5 5.9 1.0 O B:HOH652 3.9 8.5 0.3 O B:ALA468 4.1 5.0 1.0 CB B:ASP472 4.4 5.2 1.0 CA B:ASP472 4.7 5.1 1.0 N B:ASP472 4.7 4.9 1.0 C B:ALA468 4.9 5.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group)


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 Measles Virus Fusion Inhibitor M1 Complexed with F Protein HR1 (HR1-42) (H32 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:7.9 occ:0.80 OE2 B:GLU478 2.0 6.5 0.2 O B:HOH634 2.0 13.3 1.0 O B:HOH618 2.1 8.5 0.8 O B:HOH625 2.1 10.5 0.8 O B:HOH628 2.1 10.2 0.8 NE2 B:GLN482 2.1 8.9 0.2 CD B:GLU478 2.8 7.0 0.2 CD B:GLN482 3.1 9.4 0.2 CG B:GLN482 3.2 9.4 0.2 CG B:GLU478 3.3 6.7 0.2 OE1 B:GLU478 3.8 6.8 0.2 O B:HOH624 4.0 15.0 1.0 OE1 B:GLU478 4.1 13.8 0.8 O B:HOH629 4.1 23.9 0.8 OE1 B:GLN482 4.3 11.1 0.2 O B:HOH664 4.3 19.2 1.0 OE1 B:GLN482 4.3 10.1 0.8 O B:GLU478 4.4 6.5 1.0 CB B:GLN482 4.5 9.2 0.8 CB B:GLN482 4.6 9.3 0.2 CB B:GLU478 4.8 6.2 0.2 CB B:GLU478 4.9 7.5 0.8 NH2 B:ARG485 5.0 39.0 1.0

A.Takahara, T.Nakatsu, K.Hirata, H.Hayashi, K.Kawaji, S.Inuki, H.Ohno, H.Kato, E.Kodama, S.Oishi. Structure-Based Design of Measles Virus Fusion Inhibitors To Be Published.